data_6nzn_residue ############################ # Computer software used # ############################ 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 6nzn _Structure_validation_residue.Date_analyzed 2019-05-31 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 ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.784 0.326 . . . . 73.51 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.21 121.3 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.33 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 m -133.49 124.87 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 74.43 111.142 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -127.94 134.76 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 61.31 110.878 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.23 129.97 34.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 75.15 110.838 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -143.87 121.71 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.915 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 130.51 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 72.42 110.873 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.51 136.03 37.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.916 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.88 143.5 50.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -134.09 115.49 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.41 110.937 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -118.35 125.09 49.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.849 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -132.48 143.35 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.838 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -143.19 135.15 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -129.89 128.5 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.86 142.0 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.02 111.064 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.48 124.06 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.12 135.74 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.64 127.78 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.923 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -135.92 116.94 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 74.23 111.133 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -145.07 139.11 27.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -149.45 141.68 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.922 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -136.59 137.06 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.875 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.44 136.74 50.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.864 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.25 176.88 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.909 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.168 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.813 0.339 . . . . 62.35 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -153.46 164.6 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.889 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -166.86 167.18 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 130.35 2.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.703 -0.761 . . . . 74.3 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -122.61 138.7 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 71.34 111.147 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 126.32 20.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -128.81 127.42 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.118 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -126.19 135.54 51.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.81 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 131.24 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 64.32 110.859 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -139.95 125.19 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 134.58 38.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 75.23 110.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 139.7 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.48 140.46 51.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 74.2 110.932 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tp -136.15 113.55 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.903 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -122.0 123.15 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.83 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -131.19 143.79 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 51.11 110.853 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -142.55 131.68 23.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.925 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -132.39 129.72 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.87 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.32 140.38 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.15 111.107 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.94 123.93 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 63.23 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -119.17 135.91 54.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.845 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.78 125.71 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -138.59 120.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.43 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -139.11 142.09 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.915 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -144.47 138.59 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.58 137.84 42.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.948 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.81 136.41 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.875 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.84 177.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 70.24 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.11 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 74.02 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.74 160.98 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 52.21 110.832 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -160.55 136.63 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 73.34 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.17 128.54 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.44 112.5 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -127.44 116.65 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 74.52 111.136 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -123.57 143.56 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.8 151.07 35.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 70.32 111.144 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -145.48 134.44 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.24 110.87 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 122.57 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.872 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -132.35 122.63 25.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.917 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 138.38 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 64.41 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 137.81 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.939 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -131.78 135.07 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 70.31 110.957 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 123.17 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 72.14 110.932 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -128.79 123.55 33.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.3 110.848 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.15 121.3 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.869 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -121.79 136.56 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -134.48 129.35 35.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.3 110.886 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.42 142.22 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 70.32 111.092 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -143.78 135.87 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.947 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.77 135.42 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.906 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.25 132.02 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.877 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 92.2 t -133.72 124.39 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -135.6 133.05 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.953 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.07 130.15 38.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.12 124.02 33.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.954 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.86 135.29 54.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.906 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -161.45 175.7 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.42 111.091 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.69 160.4 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.866 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.79 133.62 8.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.45 130.18 5.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 61.23 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -123.98 115.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.45 111.144 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -122.92 146.26 47.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.44 150.23 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.24 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -141.74 134.86 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.17 121.27 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.34 110.885 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.81 122.99 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.925 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 138.44 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.824 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.56 137.78 32.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 74.24 110.865 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -131.39 134.11 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.0 122.54 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.932 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -130.13 124.03 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.85 119.85 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -122.66 135.03 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -136.92 131.57 33.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.85 141.35 51.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.43 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -144.38 136.46 26.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 61.45 110.958 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -136.41 136.36 39.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.12 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -125.4 130.78 52.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.83 126.36 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.4 111.195 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -134.73 132.18 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.904 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.06 129.33 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.949 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.01 121.97 25.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.945 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.52 129.52 52.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.844 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -163.39 177.22 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 65.42 111.153 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 73.53 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.46 157.06 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 129.82 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.18 132.22 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 70.12 112.508 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -128.43 118.17 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 74.53 111.138 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -125.87 121.11 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 75.24 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -132.1 145.87 51.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.138 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.0 t -137.94 134.91 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.845 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.02 118.53 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.818 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -129.48 120.34 25.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.952 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 130.3 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 153.49 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.9 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -144.77 139.99 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.93 131.74 42.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.22 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.3 126.3 33.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.875 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -134.18 120.99 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -122.3 136.39 54.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -132.87 129.59 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.48 140.21 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.096 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -142.66 136.03 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -137.13 136.46 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 63.11 110.909 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.8 130.22 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.31 123.38 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 72.23 111.166 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.3 123.94 35.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.1 131.47 56.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.38 128.8 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.63 133.37 48.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.894 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -161.78 176.99 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.872 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.17 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.843 0.354 . . . . 73.14 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.23 157.14 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -154.04 129.75 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.86 133.1 6.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 63.31 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -125.96 118.55 25.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 70.25 111.162 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -124.86 123.65 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 73.13 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -127.63 144.64 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 74.35 111.14 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -135.1 135.14 40.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.851 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.56 116.93 11.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 64.31 110.842 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -129.23 120.86 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.906 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.09 133.2 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.901 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.31 153.38 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 63.31 110.92 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -144.57 137.23 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 72.33 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.0 130.15 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 73.5 110.941 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -134.83 126.01 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.866 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 49.7 p -133.27 119.55 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.858 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -124.45 134.36 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.32 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -134.61 131.71 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.71 139.89 53.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 61.43 111.156 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -141.52 138.11 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -136.62 137.49 40.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.934 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.17 129.44 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.9 121.85 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.131 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.87 120.39 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 74.34 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.8 129.3 54.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.41 129.82 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 60.22 110.938 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.24 128.69 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -164.5 177.35 8.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.15 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.106 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 73.11 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.09 154.35 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.896 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -152.24 129.87 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.5 132.6 6.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 64.21 112.455 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -126.92 120.9 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 71.4 111.186 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -125.96 112.77 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -125.47 147.44 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 70.32 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -141.63 135.27 29.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.815 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.45 122.33 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 73.51 110.87 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.26 129.33 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.922 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 30.1 t -140.04 128.57 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -132.39 144.58 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 72.12 110.887 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -140.18 136.9 33.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mp -130.51 124.37 31.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -124.92 123.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.885 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.18 120.14 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.893 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.33 134.98 53.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -129.03 130.01 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.18 131.59 54.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.112 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.93 124.23 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.94 127.46 34.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.09 134.15 55.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.919 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.95 135.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.15 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -144.74 122.91 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 52.22 110.883 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.52 129.64 51.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.51 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.71 142.58 49.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.924 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.29 130.34 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.855 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -164.99 144.17 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.01 111.143 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 71.04 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.01 154.1 36.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.881 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -150.67 129.57 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.6 133.27 6.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 64.03 112.503 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -125.1 120.3 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 74.12 111.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -126.06 116.16 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 147.85 45.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.149 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -137.33 135.06 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.863 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.63 120.23 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.05 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -132.1 132.44 43.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.911 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -137.36 130.11 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 64.12 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -129.63 145.79 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -139.74 134.82 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.879 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mp -130.85 122.99 28.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 63.12 110.915 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -128.78 122.78 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.859 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.19 119.77 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.873 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.6 132.84 52.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.53 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -129.53 130.06 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.879 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 131.52 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.121 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.6 125.37 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 74.22 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.79 128.06 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.32 134.59 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.921 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -141.37 133.26 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -146.88 120.78 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.929 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -124.15 130.68 52.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.95 143.74 49.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.7 130.18 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.862 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -165.29 144.32 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.841 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.01 111.121 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 73.51 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.68 160.33 26.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.9 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -108.22 126.96 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.11 138.93 10.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 65.13 112.465 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 3.8 m -134.72 126.47 29.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.343 . . . . 75.41 111.118 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -126.24 130.9 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.91 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 4.3 t -137.09 117.65 13.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.16 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -135.52 143.39 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.842 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -141.33 143.81 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 54.21 110.854 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -130.3 128.57 41.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.928 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -122.41 134.53 54.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.22 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -133.41 130.62 38.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.22 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -132.19 119.82 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.36 136.32 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.41 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -141.88 111.78 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 70.42 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.46 34.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.84 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.15 141.07 46.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.21 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.875 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.64 123.06 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.54 111.142 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.34 126.92 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.7 120.53 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -140.22 141.48 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 74.35 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 4.6 m -143.73 160.68 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.125 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.47 144.36 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 31.0 p-90 -142.49 139.33 31.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.942 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tt -132.87 139.9 47.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.885 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.1 125.46 37.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.881 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.35 136.72 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 64.44 111.171 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 75.31 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.32 161.24 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 53.43 110.822 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -107.55 125.42 51.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.897 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.27 137.13 9.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 74.24 112.512 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -131.29 126.94 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 64.31 111.126 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -127.12 131.21 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 4.4 t -135.4 120.18 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 73.22 111.147 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -136.33 134.69 38.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.27 145.29 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 71.41 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.62 127.5 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.929 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -121.7 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.829 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -134.25 130.22 36.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.898 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -130.8 120.21 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.02 136.4 54.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 73.43 110.895 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -139.72 109.66 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.908 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.95 121.85 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.1 110.827 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.93 140.8 46.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.897 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 145.31 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.7 123.61 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.03 111.082 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.41 128.98 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.906 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.1 123.84 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -136.81 138.33 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.875 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.07 157.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.14 111.138 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.85 144.74 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 72.45 110.939 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -140.62 141.2 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.12 138.86 46.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.24 126.83 39.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 135.27 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 62.14 110.917 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.169 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 74.54 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.4 156.1 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 129.2 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.18 138.13 9.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.3 112.517 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.48 123.4 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 75.2 111.188 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -124.9 125.12 43.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.53 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.94 116.3 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.116 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 6.6 p -130.55 133.83 46.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.876 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.28 135.03 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.11 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.5 131.62 52.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.51 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 63.01 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -136.29 134.1 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.04 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -136.59 123.45 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.83 122.52 36.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.7 111.86 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.836 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 26.2 p -126.58 128.22 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.15 110.858 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -140.8 142.37 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.64 144.59 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.827 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.1 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.52 128.3 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -135.4 122.02 20.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -136.98 141.4 42.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.89 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.94 162.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.154 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -140.67 151.13 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.15 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -150.58 120.18 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 128.83 49.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.95 124.86 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.52 135.31 53.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.881 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.152 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 71.5 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.67 156.26 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.887 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.35 125.26 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.75 138.2 9.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 72.55 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.37 124.05 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 75.32 111.133 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -125.54 125.88 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.87 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.01 116.25 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.32 111.088 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 6.5 p -129.23 128.58 43.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.1 135.79 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.871 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -125.58 129.47 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.921 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.13 134.43 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 60.22 110.878 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -138.92 135.03 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -134.95 124.16 24.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.68 122.64 36.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 75.33 110.934 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.43 110.7 13.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.835 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 26.5 p -126.74 129.24 48.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -140.54 141.88 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.882 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.35 145.62 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.57 124.86 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.068 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -129.68 128.18 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -135.95 124.59 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -136.3 139.89 42.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.894 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.2 m -141.14 158.91 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.41 111.148 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -144.31 153.46 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -150.02 122.42 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.939 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.74 130.87 52.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 71.45 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 129.15 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.893 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.89 133.24 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.119 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.354 . . . . 74.41 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.56 163.2 30.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.852 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 130.21 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.22 138.38 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 75.2 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 4.3 m -132.27 135.27 46.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 75.14 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.97 115.8 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.53 121.0 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.149 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.22 134.13 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.823 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.72 135.53 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 134.27 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.887 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 65.8 m -137.53 134.5 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 65.41 110.867 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.31 131.39 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -132.82 117.0 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.1 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.55 118.82 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.11 110.927 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.57 111.51 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.829 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -130.71 127.41 38.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.43 145.24 31.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.4 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.46 154.52 49.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.29 129.66 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.51 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.82 122.28 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.918 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -130.39 121.25 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.865 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -138.06 141.22 40.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.869 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 4.5 m -143.07 154.29 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.104 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -130.39 140.2 50.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -138.99 114.46 9.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.923 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -120.75 131.42 54.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.943 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.19 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.24 132.83 53.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.837 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.168 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 74.24 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.29 163.08 30.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.828 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.68 126.39 52.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 70.22 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.09 137.74 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.49 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 4.2 m -128.56 134.64 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 73.02 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -134.26 114.3 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.41 122.2 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.135 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.31 131.33 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.83 138.49 37.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.911 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.57 133.37 48.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.931 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 65.5 m -135.05 134.67 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 130.62 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 70.04 110.89 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -131.5 116.81 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 117.86 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.933 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -127.57 110.14 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.55 110.868 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -129.55 130.36 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.841 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -145.39 144.61 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.886 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 155.15 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.6 130.02 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.35 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -127.72 122.27 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.935 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -130.9 122.42 26.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -136.33 142.56 43.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 70.4 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 10.2 m -142.85 150.69 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 75.12 111.152 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -133.77 140.52 47.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.41 116.21 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 62.02 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -121.19 132.11 54.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.947 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.14 125.65 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.86 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -122.99 132.46 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.123 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 31.8 m170 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.806 0.336 . . . . 65.4 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -111.28 178.56 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.53 139.37 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 70.54 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.54 138.7 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 74.51 112.482 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -128.6 140.23 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 74.43 111.151 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -135.19 113.21 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -110.96 133.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -143.35 135.53 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.848 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -142.72 136.28 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.842 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -128.29 127.85 43.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.935 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.18 134.95 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 65.31 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.31 136.36 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 73.01 110.927 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -130.26 118.77 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.48 116.06 24.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.07 112.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.87 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.16 127.93 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.861 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -141.06 152.81 45.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.52 145.97 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.847 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.57 123.83 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.33 122.11 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.02 110.904 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -130.75 123.44 29.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -141.5 142.3 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 9.1 m -142.67 158.72 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 75.42 111.141 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.93 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.932 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.75 114.69 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.43 133.41 55.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -128.49 124.29 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.85 133.23 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.133 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 73.35 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 83.7 p -111.68 179.94 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.1 110.883 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.72 139.86 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.11 110.94 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.76 139.53 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.503 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.8 t -128.41 139.19 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 71.11 111.119 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -136.75 111.04 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -114.23 131.97 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.173 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -144.21 135.07 25.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 73.14 110.877 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -141.53 135.83 30.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -127.91 127.62 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.54 134.47 39.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 54.11 110.861 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 136.11 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 73.41 110.922 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.14 118.35 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 75.31 110.898 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.43 117.56 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.954 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.87 111.29 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.901 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.78 130.51 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.871 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -140.37 153.44 46.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.844 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.77 147.63 35.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.857 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.29 123.51 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.35 111.108 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.84 122.35 37.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -133.9 121.72 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -141.08 142.31 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 74.22 110.856 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.12 156.14 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 73.3 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.69 134.28 37.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.897 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.96 116.15 14.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt -120.61 133.63 55.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.909 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.3 mmt -128.4 125.49 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.866 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.21 134.17 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.53 111.157 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 73.51 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -125.27 112.1 16.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 65.33 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -126.3 148.51 49.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 74.43 111.102 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -150.85 134.57 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.01 130.12 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.15 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -138.89 128.64 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.94 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -138.68 140.86 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.97 136.87 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -136.43 132.03 34.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.7 124.52 43.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.927 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.74 125.38 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.893 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -136.32 126.11 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.903 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -129.89 138.05 50.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.926 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -128.45 122.7 31.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 124.55 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.102 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -131.01 124.34 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.828 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -122.98 135.81 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.858 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.65 135.11 52.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -143.9 118.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.23 111.082 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.16 135.79 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.887 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -139.99 138.21 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 75.52 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tp -134.71 129.46 34.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.01 110.922 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.3 154.04 46.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.895 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -164.57 172.2 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.153 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.767 0.318 . . . . 62.35 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -143.27 154.86 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.804 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.98 163.13 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 75.14 110.911 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.61 136.38 4.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 74.3 112.562 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -124.81 122.52 37.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 71.34 111.189 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.64 116.33 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.21 110.935 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 m -118.77 150.41 39.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.23 111.171 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -143.09 135.82 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.57 129.79 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 64.32 110.875 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -137.01 130.66 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.7 t -136.29 141.17 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.23 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.12 139.82 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.889 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -133.5 131.8 40.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.94 121.74 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 73.44 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.61 125.44 38.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.833 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -136.05 126.44 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 51.11 110.81 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -129.63 134.97 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 72.33 110.814 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -132.28 123.57 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.02 110.896 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.5 125.15 48.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 72.15 111.146 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -132.12 124.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -121.94 135.33 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -125.96 132.86 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.13 122.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 63.43 111.134 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.86 138.09 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -137.34 136.5 38.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 tp -135.38 128.97 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.93 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.26 151.01 48.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.882 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -164.79 171.66 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 70.24 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.161 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.826 0.346 . . . . 74.02 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.6 143.79 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 52.21 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.7 135.9 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 127.89 4.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 73.44 112.48 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.26 124.75 43.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 74.52 111.141 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.47 112.44 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.865 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.3 144.43 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.32 111.132 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.0 t -142.97 134.76 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.866 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.16 121.5 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.847 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -130.94 123.89 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.928 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -134.59 143.78 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 64.41 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.6 142.84 24.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.872 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.18 129.78 24.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.31 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.32 125.01 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -126.18 123.6 38.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.838 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -134.63 129.02 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.813 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.48 139.97 44.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -133.16 137.05 46.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.853 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.91 136.36 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.14 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.87 133.88 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -132.95 129.02 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.73 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.93 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.56 135.37 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.145 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.99 121.63 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.77 129.14 55.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 74.53 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.61 126.15 26.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.49 129.74 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.905 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -160.28 147.17 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 70.42 111.096 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.353 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.72 143.68 49.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.826 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.14 131.66 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 128.64 4.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 61.23 112.519 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -123.95 121.27 34.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 72.45 111.098 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -130.47 113.18 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.831 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.78 145.11 43.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.108 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 t -137.79 135.1 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.807 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.71 120.66 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.958 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -129.67 124.07 32.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.835 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -132.94 142.08 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 64.52 110.829 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.7 143.45 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.933 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -139.64 129.67 25.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.973 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.73 122.05 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.21 123.1 33.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.809 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -134.66 129.46 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.877 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.11 136.53 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.54 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -135.12 137.6 42.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.82 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.49 134.23 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.43 111.133 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.36 135.06 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 61.45 110.913 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -134.08 130.26 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.91 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 124.67 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.3 110.901 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 42.7 t -135.6 135.29 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 73.4 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 119.72 11.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . 0.405 ' CE2' ' HB2' ' L' ' 106' ' ' PHE . 0.0 OUTLIER -120.47 127.15 51.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.26 -0.427 . . . . 73.34 110.89 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -136.68 132.15 34.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 75.45 110.955 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 129.44 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.859 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -162.01 147.94 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.92 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 65.42 111.235 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.812 0.339 . . . . 73.53 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -137.78 147.3 44.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.856 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -167.94 134.92 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.943 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.99 126.16 5.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.766 -0.731 . . . . 70.12 112.481 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -128.97 120.04 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 74.53 111.116 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -125.54 111.93 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.849 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -120.89 141.45 50.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.03 111.06 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -134.96 135.07 41.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 72.42 110.855 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.01 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.826 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -132.56 119.13 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 63.34 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -129.44 138.51 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.805 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -144.04 142.56 30.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -138.82 131.24 28.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.05 110.871 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.3 120.95 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 75.22 110.854 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.68 122.17 39.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.879 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.84 130.39 37.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -132.69 137.32 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -133.55 136.77 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.804 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.35 134.92 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.44 111.066 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -132.96 130.7 39.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.85 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -131.56 131.31 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -137.63 125.11 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 72.23 111.094 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.52 124.69 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.03 110.95 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.04 131.26 56.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.888 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.06 122.78 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.25 110.909 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 130.9 51.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.85 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -159.48 128.95 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.124 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 73.14 110.831 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -137.39 149.48 46.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.91 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -159.15 129.71 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.67 128.57 5.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.78 -0.724 . . . . 63.31 112.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -123.68 118.51 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 70.25 111.192 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -127.18 112.54 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.879 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -119.04 137.9 53.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.35 111.141 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -133.35 135.56 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 71.54 110.857 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -140.37 121.56 14.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 64.31 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -129.94 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.96 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -127.56 136.67 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.857 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -143.41 143.24 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 63.31 110.952 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.79 125.43 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 122.7 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 73.5 110.949 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -124.53 122.51 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.899 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.68 128.78 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.875 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -132.21 136.1 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.837 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.77 136.96 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.852 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.16 134.55 47.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 61.43 111.06 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -133.02 132.31 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -134.87 134.65 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.7 130.57 44.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.918 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.83 123.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.12 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 121.11 18.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.942 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.43 130.4 55.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 73.42 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.67 124.24 27.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 60.22 110.851 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.47 128.81 48.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.856 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.63 130.33 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.935 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.51 111.113 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 73.11 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.92 145.06 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.833 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -165.01 139.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.927 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.88 130.79 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 64.21 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -124.38 122.63 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 71.4 111.205 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -127.73 113.31 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -125.4 146.42 49.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.32 111.094 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -141.19 135.14 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.918 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.02 126.5 25.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 73.51 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -137.26 119.89 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.906 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -132.71 130.86 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 72.4 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.33 145.73 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 72.12 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -139.96 137.39 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.897 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 128.68 44.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.03 110.947 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -129.34 123.31 31.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.855 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.32 123.11 27.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 70.14 110.859 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -124.37 136.85 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.97 43.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 72.22 111.079 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.33 126.97 44.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.935 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -132.25 120.24 21.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.828 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -118.89 126.88 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.866 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.12 123.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 72.15 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.13 124.55 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.22 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 131.2 56.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.84 117.4 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.882 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 19.1 mtm -116.01 130.51 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -164.56 132.62 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 64.53 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 74.01 111.112 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.799 0.333 . . . . 71.04 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.67 147.02 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.827 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.47 134.63 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 133.41 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.545 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 121.73 38.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 74.12 111.106 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -125.93 115.73 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.22 110.861 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -121.02 146.85 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.23 111.118 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -136.86 135.31 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.21 124.39 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.833 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -135.21 118.85 17.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 72.55 110.875 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -129.68 132.14 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 64.12 110.804 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.0 145.62 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.93 132.7 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -128.76 127.54 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 63.12 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -131.92 122.85 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.846 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 123.39 34.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.866 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -125.4 133.13 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.806 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.59 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 128.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -123.88 128.07 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -132.85 119.53 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.822 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -117.65 127.98 54.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.01 122.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.75 121.05 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.15 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -131.99 115.73 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 17.1 mtm -116.32 128.55 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 73.14 110.878 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -165.05 132.81 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 74.01 111.176 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.753 0.311 . . . . 73.51 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 32.4 p -164.66 149.67 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.44 127.12 55.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.96 137.98 9.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.76 . . . . 65.13 112.507 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t -130.87 136.04 48.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 75.41 111.198 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -134.39 125.91 28.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 3.1 t -129.96 121.8 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.129 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 95.0 p -136.93 145.17 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -147.14 143.73 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 54.21 110.839 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -132.78 129.14 38.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.973 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 5.2 p -125.92 134.73 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.24 128.33 29.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 72.22 110.877 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.19 122.63 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 61.13 110.908 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 124.53 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.923 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.5 112.79 12.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.947 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.63 129.34 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.802 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 135.71 40.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.05 139.99 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.847 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 123.66 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.97 128.34 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -138.15 127.97 25.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -144.41 145.42 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.909 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -139.1 160.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.107 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.13 136.43 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.92 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -135.28 115.43 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -120.44 132.55 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.964 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -132.02 125.54 31.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 71.01 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.02 139.06 49.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.167 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 75.31 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 31.7 p -164.86 149.53 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.844 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.08 126.28 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.44 136.53 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 74.24 112.445 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 6.2 t -130.67 135.5 47.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 64.31 111.095 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -134.05 126.12 29.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.764 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.8 t -128.31 123.13 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 73.22 111.13 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 91.8 p -136.95 139.92 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.853 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -150.08 145.32 26.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.91 127.8 39.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.14 110.951 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 5.3 p -125.2 134.1 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.858 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 128.68 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.897 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.08 120.67 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.1 110.953 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.91 123.28 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 73.43 110.945 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.42 112.71 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.31 128.53 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.809 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 135.4 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.23 139.78 53.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.836 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.14 124.06 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 73.03 111.039 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.72 127.7 37.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -138.22 130.8 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.01 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -142.78 141.15 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.2 m -139.75 155.9 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.14 111.066 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.86 139.03 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.45 110.976 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -131.32 115.8 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 72.01 110.907 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -119.1 132.87 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -130.18 130.17 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.846 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.32 137.07 50.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 62.14 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.126 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 13.7 t -122.44 143.89 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.15 110.813 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.79 130.51 54.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 75.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.89 136.63 8.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 73.3 112.488 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 5.9 t -139.62 141.44 37.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 75.2 111.12 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.99 125.94 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 16.1 p -121.4 131.84 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 71.51 111.136 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 130.82 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.882 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -135.94 139.41 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.828 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -135.29 141.57 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.964 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.14 134.64 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.807 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.92 129.08 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 73.04 110.885 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.48 120.22 29.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.886 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.01 121.55 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 110.89 10.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.913 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -131.85 124.98 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.847 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -134.97 134.54 40.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.6 143.14 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.839 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.97 123.45 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 71.24 111.136 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -132.91 129.74 38.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -137.54 122.76 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.814 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.85 142.62 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.903 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.34 153.26 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 71.43 111.103 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.08 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 65.15 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -131.22 109.79 10.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -113.75 125.81 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 65.31 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -125.17 123.6 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.11 136.65 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 72.04 110.92 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.122 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.759 0.314 . . . . 71.5 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 13.8 t -122.19 144.18 49.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.05 110.892 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.0 125.87 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.878 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.36 135.86 7.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 72.55 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -138.25 139.76 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 75.32 111.116 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' D' ' 25' ' ' TRP . 2.1 t80 -142.74 126.01 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.862 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 13.7 p -122.15 132.88 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 71.32 111.106 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.47 125.82 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.12 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -138.91 142.99 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.905 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -133.42 141.98 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 73.43 110.964 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.05 135.42 41.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 60.22 110.85 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.39 129.51 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -125.01 120.26 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.82 120.89 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 75.33 110.889 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.98 110.6 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -130.49 125.56 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -135.03 135.24 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.807 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.4 143.05 49.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.0 125.25 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 74.13 111.053 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -134.18 128.37 33.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -138.23 126.49 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.92 140.16 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.32 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.21 150.09 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.48 136.57 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -127.56 110.11 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.55 125.17 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 26.1 mmt -125.82 127.85 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.44 110.905 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.07 133.91 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.19 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -133.8 163.8 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.952 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.15 127.35 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.15 138.99 10.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 75.2 112.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 17.1 m -136.11 130.09 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 75.14 111.169 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -128.49 117.76 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.858 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.95 119.24 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 132.51 43.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.904 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -136.73 142.71 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -138.17 137.47 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.13 138.11 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.41 110.873 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 133.14 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.953 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -132.92 121.79 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.956 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.52 122.53 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.909 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.22 111.61 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 121.57 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 73.43 110.909 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 139.96 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.89 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -127.47 136.86 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 75.24 110.886 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.32 122.92 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 70.51 111.114 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -132.71 126.88 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -134.98 120.57 19.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.943 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -135.99 142.74 44.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.89 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.58 149.2 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 73.4 111.122 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -124.36 131.26 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -128.64 109.21 11.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.937 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' M' ' 126' ' ' LEU . 0.3 OUTLIER -116.39 115.13 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.965 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.84 122.24 43.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.83 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -123.76 137.5 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.837 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.1 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 74.24 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -134.17 163.64 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.99 125.63 49.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.22 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.81 138.28 10.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.798 -0.715 . . . . 60.44 112.467 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 16.7 m -134.3 128.97 34.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 73.02 111.113 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -129.79 116.82 19.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 119.3 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.162 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.02 130.24 43.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.827 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.79 142.91 40.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -139.58 135.57 33.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.926 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.24 138.28 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 134.24 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 70.04 110.921 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -130.66 125.01 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 122.33 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.831 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.88 114.54 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.55 110.863 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.32 121.61 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.85 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.05 140.65 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -128.38 141.09 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.843 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.09 122.32 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.35 111.064 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.01 125.93 32.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.54 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -138.8 118.95 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -136.25 142.36 43.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.4 110.836 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.3 145.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 75.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -127.54 131.17 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.928 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -126.84 108.53 11.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.02 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.36 117.36 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.923 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -118.14 128.36 54.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.868 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.12 134.66 55.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.52 111.135 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 65.4 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.73 178.27 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.845 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.7 134.16 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.898 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.49 139.32 10.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 74.51 112.475 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.17 124.7 26.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 74.43 111.093 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -125.48 120.3 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 63.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 116.19 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 75.32 111.072 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 124.22 36.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.855 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.55 127.68 41.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 73.21 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -126.81 127.4 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.912 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.37 134.5 45.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 65.31 110.83 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -131.02 128.89 41.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 73.01 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.24 116.58 20.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.99 124.29 44.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.951 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -130.74 109.95 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -127.08 124.56 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.866 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -137.7 145.99 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.897 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.73 146.23 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.832 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.78 123.28 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 122.33 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.02 110.871 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -131.55 118.96 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.897 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -136.68 142.62 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.01 154.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.42 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.42 134.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 110.44 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.02 129.64 56.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 72.23 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.0 mmt -125.0 124.13 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.86 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.82 137.38 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 64.51 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.162 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.45 178.77 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.25 133.45 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.944 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.4 139.13 10.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.781 -0.724 . . . . 63.41 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 126.69 37.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 71.11 111.128 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -126.42 118.73 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.818 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.86 116.14 25.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.21 125.64 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.843 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.48 127.65 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.81 127.78 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.897 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.37 134.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 54.11 110.826 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -131.89 128.57 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -130.69 115.0 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.77 125.5 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 75.14 110.953 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.09 109.58 10.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.838 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -123.44 128.38 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.8 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -137.52 146.97 44.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 147.76 45.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.847 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.61 123.35 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.35 111.121 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.12 122.2 36.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.866 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -134.39 118.31 17.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 64.11 110.968 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -137.31 142.28 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.951 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.26 152.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.108 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -132.79 133.91 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.42 112.5 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.926 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.6 130.72 56.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.44 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -124.72 125.64 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.889 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.69 138.12 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 75.42 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.123 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.35 . . . . 73.51 111.106 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -123.14 112.37 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 142.81 46.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.188 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -134.7 134.75 41.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 61.31 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -135.34 124.01 23.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.15 110.814 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -133.41 128.17 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t -137.75 131.08 30.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.845 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -140.07 132.9 29.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.944 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -133.35 139.38 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.85 132.21 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.972 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -135.3 122.55 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.53 110.823 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -129.86 127.62 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.927 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.17 149.29 52.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 74.4 110.853 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -147.89 137.19 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.15 142.96 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.145 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.04 127.1 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.915 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -122.44 113.35 19.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -116.08 122.08 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.943 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.4 t -136.19 117.8 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.175 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -129.56 132.84 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -131.37 131.76 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 tp -127.9 137.15 52.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.9 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -133.05 130.5 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.863 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -148.54 166.09 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.791 0.329 . . . . 62.35 110.835 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -147.81 153.13 38.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.28 131.18 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 75.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 130.55 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 74.3 112.509 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 p -125.22 117.36 23.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 71.34 111.129 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -126.05 114.22 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 140.75 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.096 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -133.61 134.93 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -139.37 123.52 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.83 129.96 41.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.955 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 44.3 t -135.77 132.26 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 75.23 110.817 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -138.39 135.11 34.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 75.41 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -131.03 137.16 49.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.402 . . . . 74.2 110.936 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.84 131.69 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 73.44 110.92 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -134.64 122.66 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.833 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -128.83 127.67 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 51.11 110.848 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 147.08 52.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 72.33 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -151.13 137.12 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.02 141.59 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.131 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 128.05 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 63.23 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.67 115.56 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.803 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.68 121.07 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.51 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 63.3 t -137.12 117.97 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 63.43 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -128.62 133.98 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -130.09 130.7 45.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -129.21 136.09 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.935 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -135.5 130.6 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.876 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -147.7 165.93 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.851 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.143 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.82 0.343 . . . . 74.02 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.05 144.46 49.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 52.21 110.826 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.4 135.09 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.87 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.59 127.79 4.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 73.44 112.45 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p -123.3 126.01 46.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 74.52 111.133 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.41 117.52 19.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 148.25 51.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.094 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -143.42 135.41 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.889 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.33 124.14 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.806 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -136.63 125.34 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.942 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -130.08 135.81 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.868 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.95 129.91 38.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -129.04 125.32 37.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.99 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -123.21 120.85 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 72.14 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -126.11 123.03 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 72.3 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -127.84 121.53 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.875 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -124.16 135.45 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.53 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 138.38 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.911 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 142.09 50.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.106 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -141.88 134.79 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.97 134.86 40.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -132.28 127.24 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.91 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.54 118.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -129.13 123.81 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -118.47 131.57 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.65 134.05 53.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.944 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -131.18 131.7 44.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.87 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.08 131.41 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.857 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 70.42 111.164 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.767 0.318 . . . . 75.44 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.78 145.38 48.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.872 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.86 130.74 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.07 4.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 61.23 112.47 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p -121.57 124.14 43.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 72.45 111.17 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.9 120.82 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.862 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.37 147.51 46.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.15 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -138.3 134.76 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.795 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.28 122.02 13.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.34 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -135.51 124.41 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.888 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 37.1 t -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 64.52 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.08 131.23 42.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -126.15 121.01 31.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 74.31 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -122.75 120.28 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.905 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.81 122.88 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -126.16 121.07 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.832 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -125.52 134.73 51.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 73.54 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 139.27 45.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.855 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.87 142.11 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.142 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.3 135.62 32.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 61.45 110.884 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.38 135.9 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -130.54 126.88 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.805 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -139.4 117.9 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.171 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -131.02 120.1 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -119.88 129.14 54.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.878 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.87 135.23 51.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.965 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -133.04 129.24 37.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.882 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.19 131.23 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 65.42 111.172 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 73.53 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -146.59 156.81 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.914 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.15 167.02 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.877 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.23 127.87 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 70.12 112.534 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 29.8 p -125.62 118.82 26.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 74.53 111.159 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -125.46 112.3 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 75.24 110.903 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.49 146.91 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.03 111.14 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -140.87 135.1 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.834 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.03 120.54 18.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 72.35 110.797 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -129.87 121.36 26.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.937 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -131.8 140.11 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 75.3 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.68 140.82 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -132.48 136.64 46.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.05 110.898 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.89 117.96 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.964 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -118.31 122.4 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.23 110.845 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 10.3 m -132.75 123.52 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.823 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -129.31 143.28 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.855 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 136.12 40.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.61 135.49 53.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.44 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.81 124.6 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.921 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.45 118.11 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 63.11 110.87 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.69 124.8 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 t -137.05 119.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.02 136.77 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.0 p-90 -140.32 142.98 35.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 73.44 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.41 129.58 52.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.956 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -123.15 131.95 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.884 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.65 147.48 8.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.84 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.13 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 73.14 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -146.49 157.94 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.855 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.27 161.63 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 128.49 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 63.31 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -122.4 118.5 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 70.25 111.137 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.94 114.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.87 146.09 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 74.35 111.133 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -138.37 135.51 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.55 118.6 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.882 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.14 120.38 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 75.13 110.961 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 46.9 t -130.39 138.72 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 64.23 110.839 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.08 140.95 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 63.31 110.918 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -132.29 134.08 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.878 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 115.87 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 73.5 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.76 122.44 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 10.4 m -132.27 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.805 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.27 141.73 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 75.32 110.896 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.43 136.34 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.831 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.47 135.55 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.43 111.08 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.21 125.83 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.89 119.82 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.12 110.823 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.46 124.54 52.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.926 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.73 121.39 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.15 111.153 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -152.34 133.88 14.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -137.83 139.82 40.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.12 128.12 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 60.22 110.913 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -123.04 129.51 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.881 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -165.74 147.56 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.51 111.065 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 73.11 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.24 149.03 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.895 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.22 140.82 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.91 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.45 129.45 5.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 64.21 112.4 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -122.09 121.65 37.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.801 0.334 . . . . 71.4 111.215 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -126.24 113.25 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.863 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.77 145.81 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -139.45 135.64 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.821 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.77 118.23 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.859 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -131.49 123.8 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.952 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 150.21 51.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -155.24 145.95 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 72.12 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . 0.404 ' HB3' ' HD3' ' O' ' 118' ' ' ARG . 46.5 t80 -144.55 141.12 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mp -127.07 128.1 45.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 75.03 110.915 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -125.39 122.92 38.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 24.0 p -134.5 138.09 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.816 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -141.51 134.44 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 126.64 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.92 141.3 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.22 111.067 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -140.69 123.86 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -128.19 136.44 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.88 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.92 136.44 48.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.88 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -146.23 117.71 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.16 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.13 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -141.26 143.96 34.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.94 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.02 128.52 52.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 74.25 110.921 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -121.11 130.16 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.896 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.47 177.08 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 64.53 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.01 111.157 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 71.04 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.03 148.5 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 73.54 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 135.19 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.967 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 128.55 4.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 64.03 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.1 p -120.56 120.05 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 74.12 111.115 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -124.95 114.89 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.19 145.48 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.187 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -136.04 135.11 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 72.04 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.43 115.22 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.864 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.49 124.57 32.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.906 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -131.59 148.78 52.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 64.12 110.797 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -151.26 147.07 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 72.2 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -143.63 136.29 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 71.43 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.74 126.27 41.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 63.12 110.914 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -128.7 122.63 31.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.931 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 24.2 p -131.28 137.2 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.851 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.38 130.09 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.28 124.96 29.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.828 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.32 140.62 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.152 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -138.37 123.91 19.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.8 138.6 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.904 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.07 136.71 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.931 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -145.9 117.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 73.14 111.114 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.67 136.16 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -146.84 138.69 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 71.52 110.909 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -120.16 127.58 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.07 128.54 49.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.856 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.13 177.55 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.01 111.115 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 39.0 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 73.51 110.8 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.6 p -164.22 144.17 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 72.01 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.33 127.4 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.35 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.36 138.74 10.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 65.13 112.476 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 14.5 m -133.61 123.53 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 75.41 111.153 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -122.83 115.91 22.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.888 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.8 m -117.21 119.78 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.02 127.72 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.817 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.98 130.55 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 54.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -127.09 129.09 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.905 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -119.58 134.68 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 74.22 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 128.04 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.913 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -133.18 125.05 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 61.13 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.08 134.29 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.02 118.58 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.866 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -126.49 138.72 53.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.803 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.82 140.09 36.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 74.12 110.894 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 128.49 43.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.825 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.5 123.55 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.54 111.133 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -135.13 128.25 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 72.33 110.928 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -138.05 127.8 25.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.816 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.22 146.94 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 74.35 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.63 156.13 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.098 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.76 129.39 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.31 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -125.47 109.33 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 74.51 110.912 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.31 122.02 41.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 71.01 110.871 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 137.13 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 72.41 110.829 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.197 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 39.1 m170 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.794 0.331 . . . . 75.31 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.8 p -164.22 144.23 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 53.43 110.836 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.01 125.75 51.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.64 137.97 9.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.783 -0.722 . . . . 74.24 112.49 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 15.2 m -132.05 123.96 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 64.31 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -123.07 116.04 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.889 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 86.6 m -116.23 119.3 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.11 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.41 124.74 34.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.794 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.7 134.74 33.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.846 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -125.06 127.72 47.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.921 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 18.4 m -119.57 136.58 54.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 64.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 128.52 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.904 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -127.99 126.56 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.964 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.47 131.26 31.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.876 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.65 118.46 11.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.824 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -128.58 137.67 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 70.1 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.96 138.57 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.825 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.63 129.52 40.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.48 125.75 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.066 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -134.27 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.868 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -138.03 130.05 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.859 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.05 144.2 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.806 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 12.8 m -142.98 153.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 74.14 111.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -135.2 130.31 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.76 109.24 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.51 116.31 27.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.897 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.97 126.99 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.911 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.54 134.32 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 62.14 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.054 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 74.54 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.22 167.95 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.15 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.5 128.16 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.95 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.26 138.72 10.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 73.3 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 6.9 m -131.81 121.29 23.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 75.2 111.146 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -117.88 110.97 18.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.88 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -112.81 117.82 33.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.51 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.54 130.52 47.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 73.21 110.848 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.6 141.86 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 71.11 110.874 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -135.1 142.33 46.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.923 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -141.02 138.31 33.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 63.01 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 137.68 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.04 110.88 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -136.06 117.71 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.24 110.967 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.28 115.91 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 74.42 110.953 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.17 111.27 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 71.24 110.816 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 121.72 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.15 110.868 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.4 135.81 40.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.871 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -132.75 144.31 50.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.85 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.4 123.97 18.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -122.94 121.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.842 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -129.09 118.6 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -140.26 142.45 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -141.99 157.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 71.43 111.08 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -132.81 140.38 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 65.15 110.914 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.95 114.18 8.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -120.9 128.76 53.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.233 -0.44 . . . . 65.31 110.962 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.8 124.96 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -127.85 139.31 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.04 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.162 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m170 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 71.5 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.61 168.57 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 72.05 110.849 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.72 126.24 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.43 135.68 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 72.55 112.485 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 5.9 m -130.28 120.24 24.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 75.32 111.137 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -118.51 110.74 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -111.2 117.46 33.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.123 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.94 126.54 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.12 143.43 38.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -134.56 141.32 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.9 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 6.3 t -140.06 138.91 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 60.22 110.826 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 138.06 37.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.897 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -134.36 118.38 17.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.953 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.24 115.87 23.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.945 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.33 109.73 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.87 123.89 45.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.916 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.75 136.32 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -133.48 146.68 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 73.35 110.891 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.39 123.91 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -123.95 123.27 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -130.65 122.33 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.51 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -138.84 140.55 38.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 71.32 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.09 154.92 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -136.2 140.92 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.954 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -138.01 117.4 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 6.8 tt -120.01 129.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 71.45 110.911 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.74 128.42 47.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.793 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -124.69 137.33 54.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.822 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.14 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.331 . . . . 74.41 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.8 160.0 36.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.896 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.48 128.71 56.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.922 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.72 138.74 10.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 75.2 112.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 10.3 t -127.54 128.92 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 75.14 111.165 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . 0.44 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 20.4 t80 -121.62 119.33 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.919 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 7.5 p -127.1 119.25 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 71.44 111.13 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 31.2 t -137.69 134.86 35.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.844 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.25 128.93 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -121.85 138.36 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.866 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 76.7 p -141.5 137.87 32.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 65.41 110.83 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 141.34 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.44 110.879 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -134.65 124.08 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.82 125.14 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.887 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.23 110.56 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.905 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -127.27 126.46 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.817 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.01 138.11 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 74.4 110.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.76 135.39 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.892 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.52 123.1 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 70.51 111.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.6 126.27 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -134.61 121.52 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -136.73 141.67 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.92 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.83 156.79 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.184 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -133.85 134.5 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 109.95 8.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -116.24 134.18 55.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.51 125.69 34.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.832 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.52 140.38 53.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 75.02 110.933 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.077 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 25.4 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.831 0.348 . . . . 74.24 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.57 160.59 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.886 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.67 127.04 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.934 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.35 136.53 8.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.719 . . . . 60.44 112.455 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 12.1 t -131.26 129.13 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 73.02 111.159 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -122.73 121.91 37.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 11.1 p -120.15 121.62 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.34 111.181 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t -138.3 129.59 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.53 130.26 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -121.3 136.06 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.906 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 76.6 p -142.15 138.1 31.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 141.79 44.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.851 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -133.13 124.11 26.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.4 125.17 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.958 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.56 110.02 9.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.912 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 p -125.93 129.58 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.811 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.41 136.1 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.51 137.23 54.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.847 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.71 123.63 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.091 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -130.72 126.98 37.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -137.47 122.02 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.797 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -136.1 143.34 44.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.4 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.73 152.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.138 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -136.95 135.32 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.873 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.12 112.07 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.02 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -114.21 133.69 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 73.2 110.977 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -133.46 129.51 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.849 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.5 138.86 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.892 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 71.52 111.211 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 43.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.778 0.323 . . . . 65.4 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 12.4 p -156.35 153.57 29.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.841 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.13 129.92 48.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 70.54 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' G' ' 27' ' ' MET . . . -144.02 138.63 8.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 74.51 112.469 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.6 129.43 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 74.43 111.128 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -121.42 127.69 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 63.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -139.37 122.91 17.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.146 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -143.89 146.75 33.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.951 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.81 157.43 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.877 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -146.13 127.95 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 70.44 110.965 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.41 137.58 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 65.31 110.846 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -128.32 128.71 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 73.01 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.55 115.78 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.951 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.39 131.78 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.967 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -143.39 114.3 7.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.911 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 58.1 p -136.87 127.02 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.837 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -135.3 146.27 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . 0.404 ' HD3' ' HB3' ' G' ' 13' ' ' TYR . 0.1 OUTLIER -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.35 124.85 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.64 125.82 44.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 75.02 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.71 120.41 23.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -140.79 144.39 35.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.851 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 12.3 m -142.58 156.12 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.42 111.186 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -131.66 136.06 47.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -137.97 113.81 9.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 10.5 tt -117.98 131.88 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -126.76 124.2 39.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.941 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.49 131.36 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 64.51 110.883 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.1 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 44.2 m170 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.8 0.333 . . . . 73.35 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 12.5 p -156.9 154.76 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.877 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.48 129.72 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.75 138.0 7.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 63.41 112.512 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -128.13 129.1 46.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 71.11 111.192 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -120.75 129.82 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.868 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -138.71 123.32 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.219 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -144.76 147.09 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.897 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.05 158.76 43.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.87 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -146.17 127.55 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.937 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.44 134.81 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.11 110.766 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -129.33 128.13 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.38 115.27 20.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.926 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.93 134.26 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.909 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -144.14 113.84 7.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.819 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -134.02 131.06 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.849 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -134.6 148.83 50.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 72.44 110.849 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 150.89 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.838 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.08 123.94 12.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 72.35 111.173 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.64 124.27 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.957 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -135.63 118.87 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.97 153.51 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.152 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -134.15 134.04 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.924 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.83 114.68 11.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.871 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 tt -118.62 132.24 56.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 63.44 110.917 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -128.27 125.49 38.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.841 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -122.42 133.89 54.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.901 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.174 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 73.51 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.07 111.39 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.33 110.876 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.1 142.74 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.161 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -140.38 134.64 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.31 110.873 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.65 125.37 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.15 110.928 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.29 122.55 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.91 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.51 130.87 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 72.42 110.86 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 124.46 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 75.4 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 132.93 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.829 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.13 118.73 28.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 75.41 110.91 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.43 122.62 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.864 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.75 148.39 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -146.41 148.96 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 74.4 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -141.28 124.26 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.955 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.68 139.55 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.148 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.03 123.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.917 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -119.59 127.39 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.822 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.6 t -144.89 117.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.23 111.206 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.09 138.92 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.913 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -140.89 137.06 32.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 75.52 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -133.81 130.21 37.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 138.42 54.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.842 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.41 176.81 10.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.15 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 62.35 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -144.95 153.6 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.868 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.7 152.21 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 130.87 2.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 74.3 112.505 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -126.08 136.73 53.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.883 0.373 . . . . 71.34 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.91 115.7 9.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.836 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.64 144.2 47.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 74.23 111.128 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -137.6 135.45 36.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.83 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -134.99 126.69 29.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.39 125.29 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.935 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.07 132.24 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 75.23 110.889 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 129.68 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.925 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.31 131.54 53.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.19 116.57 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.892 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.29 122.99 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.857 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.5 146.83 46.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 51.11 110.934 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.54 146.05 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -145.04 124.5 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 139.18 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 72.15 111.114 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.87 124.11 19.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.23 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.43 128.85 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.12 128.41 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -144.14 122.79 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 63.43 111.134 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -138.01 139.75 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.921 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -134.35 131.27 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -122.62 137.55 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.871 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.68 176.37 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.852 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.178 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 74.02 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.2 p -151.36 158.83 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 52.21 110.873 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -165.74 145.44 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.843 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.13 129.42 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 73.44 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -124.05 118.32 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 74.52 111.068 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.27 116.08 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.896 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -123.07 143.48 49.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.32 111.143 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -138.39 135.05 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.814 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.73 122.27 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -133.77 129.28 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.939 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -131.5 142.05 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.903 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -138.82 138.42 37.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.883 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -140.42 130.72 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 70.31 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.98 131.07 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -137.35 122.82 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.822 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.29 124.23 33.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.858 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.77 135.47 54.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.53 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -131.67 129.19 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.856 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 132.32 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.32 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.99 123.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.945 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -126.63 124.15 39.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.98 123.61 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.928 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.28 131.64 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.31 111.181 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -135.92 121.33 19.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -117.8 128.99 55.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.45 131.61 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.55 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.4 130.69 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.898 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.16 176.98 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 70.42 111.12 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 75.44 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -151.26 159.07 44.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.816 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -162.87 142.88 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 131.61 5.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 61.23 112.568 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -121.18 118.42 29.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 72.45 111.143 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.71 115.94 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.834 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -119.22 141.71 48.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.24 111.143 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -135.87 134.66 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.822 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.47 120.93 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -133.84 130.44 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -129.22 142.37 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.832 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -137.56 139.39 40.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.959 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -139.65 131.34 27.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.932 0.396 . . . . 74.31 110.91 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.18 129.42 37.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.845 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.19 122.86 18.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.2 123.28 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.843 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -122.1 132.86 54.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -134.78 128.85 33.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.82 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.26 133.46 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.072 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 124.36 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 61.45 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -124.25 127.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.58 123.71 41.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.874 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 129.73 60.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -138.6 120.21 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -117.71 129.83 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.09 134.69 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 75.45 110.989 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 130.18 22.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.77 177.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 65.42 111.095 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 73.53 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.78 152.74 42.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.53 110.88 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.62 163.36 35.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.923 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 131.52 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 70.12 112.572 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -120.21 135.45 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 74.53 111.19 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.7 111.71 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.882 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.48 141.15 51.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.03 111.117 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -141.42 134.64 29.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.841 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.59 119.57 14.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 72.35 110.851 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -131.98 120.82 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.977 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -124.66 141.92 51.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.3 110.891 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.85 138.92 30.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -142.84 124.34 14.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.92 121.21 35.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.22 110.929 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -123.97 124.66 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 64.23 110.879 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -132.69 122.54 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 137.5 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.13 110.83 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -131.28 140.65 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.26 137.46 48.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.09 126.52 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.52 130.59 45.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 63.11 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.9 125.77 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 23.7 t -132.05 120.43 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.23 111.15 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -128.73 122.52 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 131.51 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.949 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 126.01 31.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.912 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.96 135.26 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.906 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.83 176.74 9.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.155 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 73.14 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -142.56 153.0 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -156.0 157.6 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 72.44 110.864 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 132.82 3.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.464 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -122.56 133.64 54.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 70.25 111.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -137.81 115.28 11.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 143.91 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.35 111.127 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -135.38 134.87 40.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.914 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.98 119.16 12.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.31 110.882 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.24 118.95 21.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -125.92 140.44 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.888 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -140.86 141.78 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 63.31 110.868 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -140.11 122.72 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 72.33 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.93 120.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -125.11 125.15 43.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.797 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 124.15 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.836 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.69 132.36 53.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.864 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -132.93 138.76 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.87 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.34 138.4 47.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.079 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -136.39 128.35 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.92 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -127.6 133.92 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 73.12 110.86 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -123.47 126.41 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.902 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 29.9 t -133.14 118.29 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.15 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -132.14 118.46 19.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 130.47 56.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.868 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.69 126.52 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 60.22 110.909 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.08 129.35 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.877 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -164.7 177.45 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 73.15 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.51 111.225 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.795 0.331 . . . . 73.11 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.72 157.55 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.822 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.85 137.29 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 73.14 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.56 128.55 6.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 64.21 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 14.8 p -123.18 117.25 24.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 71.4 111.114 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -128.35 119.36 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.942 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.34 124.28 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -118.41 134.94 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.833 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 121.13 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.85 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.6 127.86 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.948 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -135.7 142.4 45.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.33 144.32 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -134.39 138.82 45.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.92 118.0 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.03 110.938 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -121.9 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.847 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.94 119.72 26.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.835 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 134.51 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.859 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -134.76 136.65 42.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.826 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.31 135.34 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 111.086 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -138.19 123.88 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -130.17 129.59 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.99 136.66 53.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 75.2 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 t -140.84 134.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.113 -0.494 . . . . 72.15 111.061 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -144.45 117.75 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 52.22 110.843 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -117.2 129.8 56.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.971 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . 0.427 HD21 ' HB ' ' O' ' 105' ' ' THR . 2.4 tm? -135.13 129.2 33.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.88 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.26 131.25 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 72.01 110.91 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -164.75 149.8 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 74.01 111.177 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.837 0.351 . . . . 71.04 110.806 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.3 155.41 42.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.54 110.841 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.94 134.06 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.862 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 130.19 6.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.656 -0.783 . . . . 64.03 112.445 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -121.82 118.97 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 74.12 111.132 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -127.58 121.62 31.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 63.22 110.906 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 127.65 46.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.117 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -117.94 134.74 54.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.882 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.46 118.56 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.05 110.965 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -129.72 128.15 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.898 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -136.02 140.78 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 64.12 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.38 142.93 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.878 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -136.4 136.29 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.68 119.89 25.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 63.12 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -123.37 122.74 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.907 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 119.63 27.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 132.89 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 75.53 110.926 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -133.97 137.42 44.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.85 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 74.33 111.143 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -135.86 126.53 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.857 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -128.67 130.58 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.825 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.89 138.31 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.875 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -144.23 132.91 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.14 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -144.1 116.99 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -119.32 129.28 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.3 133.34 42.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.74 130.43 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.14 110.93 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -164.62 151.06 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.911 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.125 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 73.51 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 6.9 t -76.96 157.08 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.813 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.54 127.15 10.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 75.35 110.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.63 137.02 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 65.13 112.465 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 4.7 t -127.68 128.06 44.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 75.41 111.21 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -127.09 124.22 38.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 125.27 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.171 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -132.04 136.49 47.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.864 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.63 140.81 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 54.21 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -134.14 127.83 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -120.6 134.67 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.805 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.6 128.53 35.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 72.22 110.82 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -129.56 127.59 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 61.13 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.33 133.02 50.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.908 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.07 109.51 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.841 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.21 130.31 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 73.32 110.873 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 141.43 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.853 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 131.9 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 75.53 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.71 123.38 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.148 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.83 125.36 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 72.33 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -134.95 126.76 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.27 143.99 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.911 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 m -140.01 156.8 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.5 111.155 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.96 134.02 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.963 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -131.43 126.67 35.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.855 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 7.4 tt -124.15 132.28 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.887 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 2.0 mmt -128.29 125.09 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.927 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . 0.413 HD21 ' N ' ' I' ' 129' ' ' THR . 0.1 OUTLIER -131.1 137.91 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.884 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 129' ' ' THR . . . . . 0.413 ' N ' HD21 ' I' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 64.44 111.194 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 75.31 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.0 t -76.94 157.42 31.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 53.43 110.89 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.22 126.71 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.908 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.49 137.2 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 74.24 112.548 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -128.42 128.75 45.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 64.31 111.115 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -127.52 123.12 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -122.8 124.07 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.109 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -135.19 132.42 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.447 . . . . 71.43 110.84 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.16 141.73 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.907 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -134.09 127.2 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.945 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 37.1 t -120.62 135.77 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 64.41 110.827 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 128.32 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 129.77 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.53 134.0 48.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.949 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.2 110.54 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.848 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.56 124.91 35.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 70.1 110.884 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.25 142.52 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.79 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 134.1 45.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.822 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.65 123.85 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.03 111.083 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.0 125.87 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.848 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.78 128.93 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -141.79 143.54 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.45 154.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 135.85 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 72.45 110.908 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -126.24 126.49 44.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 72.01 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 7.2 tt -124.72 129.76 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.837 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 1.9 mmt -129.77 128.16 41.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.813 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.48 136.39 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 62.14 110.825 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.172 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -160.62 162.83 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.15 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 128.01 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.835 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.82 137.67 8.85 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.686 -0.769 . . . . 73.3 112.449 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -133.93 144.66 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 75.2 111.135 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -140.85 112.08 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 118.39 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.51 111.151 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.07 125.21 34.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.893 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -134.44 132.35 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.937 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -129.03 133.72 47.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.968 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -131.76 133.97 45.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 63.01 110.893 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 130.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.881 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.53 115.03 16.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 72.24 110.93 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.59 124.27 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.919 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -128.31 109.72 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.87 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -123.74 122.55 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.15 110.888 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.0 137.63 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 152.35 49.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.87 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.32 134.67 20.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 71.24 111.13 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.52 121.94 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -127.1 117.36 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -137.65 141.39 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.54 110.869 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -144.28 156.37 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.43 111.107 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -136.0 139.88 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.15 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -135.35 116.74 14.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.55 127.45 53.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 65.31 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.11 125.08 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.904 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.53 130.62 52.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.129 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 71.5 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -159.77 162.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.05 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.02 126.25 13.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.921 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.33 136.74 8.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.845 -0.693 . . . . 72.55 112.526 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 24.0 m -134.55 137.5 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 75.32 111.115 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -135.29 112.37 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.87 115.84 29.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 71.32 111.123 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.21 124.31 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.867 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.73 135.46 38.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.15 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -126.11 132.96 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.913 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -130.97 134.41 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 60.22 110.816 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.73 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -129.49 115.22 17.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.894 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.67 124.16 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -126.11 109.42 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.897 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 6.8 p -123.81 123.37 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.841 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.18 143.02 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 72.34 110.85 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 152.05 46.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.26 136.35 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.13 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -130.93 122.35 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -126.95 119.36 26.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.808 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -138.35 140.13 39.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.835 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 m -144.02 155.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 73.41 111.169 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.5 140.83 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -133.72 120.01 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.41 127.43 53.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 71.45 110.935 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 128.79 50.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.908 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.34 129.21 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.33 110.869 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.171 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 74.41 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 27.3 p -163.18 142.11 8.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.82 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.09 128.88 55.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.41 110.878 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.72 138.46 9.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 75.2 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -135.05 133.27 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 75.14 111.166 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.47 124.33 35.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.799 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 118.93 32.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 71.44 111.186 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -128.6 130.32 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -132.05 140.07 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.34 110.865 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.41 127.82 38.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.966 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.85 134.17 48.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.41 110.878 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 129.98 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.44 110.908 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -128.16 114.98 17.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.921 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.32 121.18 38.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.886 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -130.16 110.1 11.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.856 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -127.2 122.18 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -135.54 138.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.944 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 146.95 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.46 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.51 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.33 124.14 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.25 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -128.18 121.1 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.804 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -140.84 142.99 34.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.926 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.78 156.46 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.142 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.47 136.51 45.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -129.47 133.56 47.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 73.3 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -131.97 133.89 45.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.895 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 9.4 mmt -132.07 125.0 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.818 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.84 140.34 51.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.144 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 74.24 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 26.7 p -162.87 141.38 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.873 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 125.22 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.95 136.45 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 60.44 112.454 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 5.3 t -132.86 136.66 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 73.02 111.184 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -127.93 122.95 33.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.856 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 117.78 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.076 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -127.91 128.28 44.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -130.81 140.65 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.9 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.16 126.95 36.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 75.11 110.927 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 134.3 46.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.851 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 129.94 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 70.04 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -127.97 114.86 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 74.23 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.39 121.46 39.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.946 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -130.71 108.69 10.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 72.55 110.912 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -126.21 124.89 41.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 74.33 110.891 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -134.82 135.64 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.865 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 148.47 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.23 135.06 23.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.35 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.6 123.18 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.49 123.35 33.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.51 110.919 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -137.5 141.03 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 70.4 110.871 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.67 154.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.06 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.66 134.48 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.912 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.69 133.28 49.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 62.02 110.973 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 tt -132.24 132.1 42.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 73.2 110.885 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 9.5 mmt -130.52 127.67 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.848 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.17 138.87 52.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.955 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.52 111.125 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 65.4 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -80.37 138.89 36.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.92 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.38 136.54 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 70.54 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.47 140.49 9.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.711 . . . . 74.51 112.5 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 105' ' ' THR . . . . . 0.427 ' HB ' HD21 ' G' ' 26' ' ' LEU . 9.8 t -136.42 128.44 29.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 74.43 111.16 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.12 119.51 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 63.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.1 p -113.34 138.41 50.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -146.65 136.05 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -141.1 140.91 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.918 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.79 127.33 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 70.44 110.919 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -130.86 137.1 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 65.31 110.801 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.35 132.9 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 73.01 110.913 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -130.72 121.79 26.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.887 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.21 115.62 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 73.24 110.897 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.2 113.12 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.896 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.41 121.55 39.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.873 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.44 39.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -124.31 133.42 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.3 125.64 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.106 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.6 126.59 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.75 136.0 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -145.58 141.74 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.885 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 5.5 m -145.5 144.31 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.125 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -125.43 136.5 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -137.23 120.97 17.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 tt -127.33 132.42 50.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.958 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.64 124.09 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.894 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.33 135.59 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 64.51 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.146 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.823 0.344 . . . . 73.35 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.11 138.94 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -123.23 136.19 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.66 139.44 8.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 63.41 112.471 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -132.61 132.22 42.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 71.11 111.125 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -127.04 116.1 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 p -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.41 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -145.69 136.89 24.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -138.89 142.5 38.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.847 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -137.85 127.46 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -132.19 136.08 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.11 110.818 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.37 133.12 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.41 110.878 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -131.63 121.53 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.66 118.38 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.14 110.944 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.51 111.64 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 65.34 110.889 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.8 122.23 40.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.858 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 123.14 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.89 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -117.92 137.22 52.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.834 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.62 123.9 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.066 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.32 127.81 26.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.43 134.4 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -143.62 142.59 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 11.6 m -145.86 143.43 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.3 111.04 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.8 136.42 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.841 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -137.13 121.71 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.53 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.41 133.45 49.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 63.44 110.959 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.3 125.58 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.824 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.53 111.161 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.843 0.354 . . . . 73.51 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -124.84 121.74 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.33 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -134.64 149.58 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.151 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -140.86 135.35 31.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 61.31 110.803 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.64 122.16 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.15 110.828 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.79 126.72 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.41 110.901 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.31 132.56 51.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.42 110.843 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 122.79 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 75.4 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.69 135.92 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.913 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 115.65 22.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.943 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.36 123.21 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.96 140.53 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.891 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.63 126.18 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.928 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -125.25 120.74 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.52 142.67 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.02 111.098 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.83 125.03 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 75.11 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.19 138.64 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.53 139.39 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.863 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.73 123.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 74.23 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.24 136.7 45.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 74.12 110.858 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -141.84 132.72 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.32 147.3 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.01 110.919 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 146.11 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.922 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.52 175.75 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.208 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.864 0.364 . . . . 62.35 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.86 157.15 40.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.812 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.43 133.7 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 75.14 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.04 140.58 11.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 74.3 112.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -129.93 117.84 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 71.34 111.093 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -125.74 125.03 42.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -129.43 150.44 50.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 74.23 111.108 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -138.15 135.2 35.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.872 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.92 122.05 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.83 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.17 124.95 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 134.12 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 75.23 110.865 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 128.16 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.931 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.96 134.34 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 112.76 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.957 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.62 122.24 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.844 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.79 139.16 41.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 51.11 110.873 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.38 122.08 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.876 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -128.01 123.46 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.19 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.15 111.05 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.66 124.08 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.37 140.76 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 141.18 46.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.821 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -143.8 127.11 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 63.43 111.127 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.99 140.18 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.954 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -138.4 135.2 35.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -133.09 147.2 52.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 75.51 110.939 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 146.55 39.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 73.53 110.87 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.24 177.04 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.24 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.154 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 74.02 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.46 151.2 44.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.21 110.849 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.61 131.03 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.64 144.95 17.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 73.44 112.522 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -129.25 143.53 50.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 74.52 111.173 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.44 119.62 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 75.11 110.835 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.77 138.71 53.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.096 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.55 134.03 42.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 64.24 110.858 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -134.99 132.59 38.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 72.12 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.3 123.31 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.969 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 134.63 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.41 110.868 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.71 123.16 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.979 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 125.88 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 70.31 110.898 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.51 117.55 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.14 110.938 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -121.57 122.29 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 142.83 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.828 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.74 130.82 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 74.53 110.812 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -127.25 128.43 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.95 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.64 139.07 53.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 70.32 111.128 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -140.44 123.84 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.863 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.7 136.38 53.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.837 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -127.71 129.36 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -140.17 123.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 73.31 111.112 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -153.84 136.86 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 2.2 p-90 -137.16 140.65 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.915 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 131.98 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -126.75 132.46 51.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.899 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.33 177.01 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 70.42 111.128 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.44 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.44 150.54 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.857 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.0 129.03 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 140.15 10.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 61.23 112.458 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -133.34 140.35 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 72.45 111.159 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -142.73 122.37 13.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.5 139.03 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.24 111.078 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 134.82 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.836 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -137.92 133.56 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 75.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -138.19 123.42 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.937 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 135.01 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.52 110.892 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 125.11 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.93 125.44 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.964 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.76 116.96 30.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.964 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -121.39 122.19 39.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.837 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.47 141.44 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.897 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.14 129.03 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 73.54 110.801 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -129.48 129.29 44.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.834 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.71 138.41 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.43 111.133 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.19 123.79 15.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 61.45 110.924 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.4 138.59 54.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -127.19 129.29 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -140.84 126.25 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.4 111.153 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -155.14 132.63 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 2.1 p-90 -138.11 138.94 39.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -122.9 131.31 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.847 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -127.14 128.65 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.902 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.86 177.26 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 65.42 111.166 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.846 0.355 . . . . 73.53 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -159.9 162.82 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.841 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -158.46 157.88 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.87 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.75 128.5 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 70.12 112.49 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -120.3 131.34 54.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 74.53 111.159 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -136.05 120.36 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 144.8 50.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 72.03 111.115 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t -141.26 134.8 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.838 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.33 121.86 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.26 122.03 25.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.34 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.09 141.46 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.849 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.86 123.99 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.25 124.46 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.05 110.852 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.01 114.68 26.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.909 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.83 122.64 44.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 64.23 110.847 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -134.46 150.35 50.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -144.52 141.7 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.929 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 132.79 39.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.838 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.62 139.36 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.44 111.131 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.94 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.88 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -138.24 126.14 22.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 63.11 110.88 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.65 126.06 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.853 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.79 132.15 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.23 111.14 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -139.75 118.38 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -120.21 131.13 54.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.19 132.74 52.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptp -130.33 133.26 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.886 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -162.91 173.32 13.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.879 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.175 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.14 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -159.49 162.38 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.857 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -156.75 156.0 32.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 131.34 3.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 63.31 112.46 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -118.3 130.88 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 70.25 111.125 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.05 124.84 23.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.41 143.41 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.151 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -135.71 135.14 39.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.829 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 120.81 12.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 64.31 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -130.1 123.58 30.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.44 138.03 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.833 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.82 123.73 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.31 110.899 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.17 125.2 36.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.55 111.87 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 73.5 110.962 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.37 121.96 40.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.912 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -135.54 145.85 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 74.23 110.825 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -145.65 137.76 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 133.67 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.836 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.84 141.58 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 61.43 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -142.91 134.74 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.998 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -137.24 129.52 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.62 125.89 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.53 127.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.15 111.102 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -143.16 115.43 8.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.865 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . 0.417 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 24.2 t-105 -120.15 128.12 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.957 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' N' ' 105' ' ' THR . 3.0 tm? -125.8 132.41 52.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 60.22 110.954 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' MET . . . . . 0.417 ' HB3' ' CZ2' ' F' ' 25' ' ' TRP . 3.4 ptp -132.12 130.2 40.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.863 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -164.69 173.05 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.15 110.898 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.186 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.828 0.347 . . . . 73.11 110.828 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.883 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.33 158.61 34.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.65 128.03 2.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 64.21 112.425 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -119.74 126.08 50.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 71.4 111.126 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -127.64 112.34 14.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.98 144.29 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.172 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -144.74 134.95 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 74.4 110.814 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.37 117.43 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 73.51 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -128.52 124.18 35.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.909 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -138.01 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.889 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 149.36 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.46 139.95 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 73.31 110.974 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.5 123.26 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 75.03 110.928 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.84 123.05 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.25 110.827 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -132.44 120.07 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -123.9 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 75.21 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 129.76 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.949 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.138 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -140.27 134.88 31.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -140.17 123.43 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.899 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -117.88 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.2 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.27 129.49 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.15 111.162 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.53 122.46 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.22 110.933 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.46 130.86 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.51 110.916 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.3 124.85 35.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 74.25 110.886 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.47 131.35 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.86 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . 0.549 HD22 ' NE2' ' M' ' 103' ' ' GLN . 3.2 p-10 -164.28 144.02 7.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.01 111.186 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 71.04 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -160.36 162.09 33.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.869 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.23 153.22 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.11 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.44 129.55 2.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 64.03 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p -117.6 124.63 49.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 74.12 111.059 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.22 110.867 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.0 147.03 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 74.23 111.15 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -138.81 135.24 34.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.84 116.2 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 74.05 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -127.43 125.35 40.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 72.55 110.929 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -135.59 145.97 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 64.12 110.831 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.02 149.28 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.2 110.903 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.29 139.21 35.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 71.43 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 122.5 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 63.12 110.939 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -124.87 122.64 37.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -131.67 119.74 21.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.36 138.67 54.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 130.01 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 72.22 110.868 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.51 137.37 53.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.91 135.71 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.22 110.902 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -141.09 123.89 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.4 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -116.28 130.14 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -131.64 128.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.147 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.12 117.0 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.1 129.11 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 125.68 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.942 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.47 129.18 46.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.945 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.71 143.58 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.918 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.155 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.33 . . . . 73.51 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -164.31 158.57 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.907 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -111.1 127.88 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.975 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.63 139.1 10.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 65.13 112.514 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.5 125.0 29.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 75.41 111.13 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -122.27 117.08 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -119.91 126.18 50.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.184 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 98.9 p -132.9 128.81 37.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -131.22 139.22 49.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.3 133.74 39.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.951 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -133.65 137.09 45.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 74.22 110.885 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.76 128.62 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -127.34 115.84 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 61.13 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 74.41 110.953 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -139.54 119.28 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 70.42 110.88 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.1 p -135.27 138.57 43.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.896 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.96 142.67 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 74.12 110.854 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.23 128.52 50.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.53 110.868 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.05 122.92 23.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.143 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -144.26 122.04 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -127.8 122.33 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -137.28 141.87 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.72 159.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.5 111.186 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -135.69 141.95 45.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -142.39 115.12 8.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.918 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -121.98 136.31 54.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.931 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 1.7 mmt -131.5 123.96 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -122.18 130.38 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.909 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.44 111.159 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.829 0.347 . . . . 75.31 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -165.57 156.76 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.846 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.82 126.34 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.87 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.03 136.62 8.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 74.24 112.4 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.69 122.29 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 64.31 111.163 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -123.68 115.78 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -120.32 125.83 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.22 111.097 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 98.1 p -134.18 124.79 26.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.87 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.95 141.68 47.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.874 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.62 135.36 44.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -129.47 138.81 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 64.41 110.903 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 129.34 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.902 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -125.16 115.4 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.955 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.94 136.65 53.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 73.43 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.89 119.51 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.865 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.2 p -136.9 136.05 38.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 70.1 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.69 141.33 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.932 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -124.39 130.72 53.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.11 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.42 125.36 34.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.134 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.48 123.68 16.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.896 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -130.75 122.41 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.01 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.29 139.37 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.85 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.3 156.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.118 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -137.8 144.09 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.982 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.21 118.77 11.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -120.66 137.45 54.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 73.31 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 1.8 mmt -130.35 125.67 35.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 73.4 110.881 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.04 130.11 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.162 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 74.54 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 91.7 p -149.82 169.47 21.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.15 110.903 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.96 126.96 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.878 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.67 137.36 8.65 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.713 -0.756 . . . . 73.3 112.493 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 10.8 t -126.66 128.43 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 75.2 111.196 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . 0.474 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 23.5 t80 -120.68 119.99 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.865 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -126.36 124.87 41.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 71.51 111.106 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 7.9 m -143.09 144.66 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.855 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.1 144.86 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 71.11 110.93 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -130.81 132.07 45.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 73.41 110.993 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -129.84 134.73 47.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 63.01 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.6 134.73 39.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 73.04 110.947 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -136.49 117.06 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 72.24 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.89 131.5 56.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.932 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.41 113.99 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.857 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.85 126.98 37.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 72.15 110.867 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -130.98 133.25 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.832 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.18 127.13 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.04 123.39 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 71.24 111.077 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.72 126.47 16.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.893 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.81 136.39 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.845 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.33 145.3 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.38 150.57 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 71.43 111.165 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.05 139.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.15 110.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -132.44 134.47 45.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.99 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -139.26 136.26 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 65.31 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -138.33 123.58 19.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.856 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -124.28 134.72 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 72.04 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.199 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.807 0.337 . . . . 71.5 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 171.76 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.834 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.54 125.39 54.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 71.23 110.962 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.83 136.17 7.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 72.55 112.521 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 10.5 t -129.83 127.72 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 75.32 111.092 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -119.16 120.46 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.53 110.83 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -122.08 125.32 45.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 71.32 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -144.5 140.97 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 75.12 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.73 145.82 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 73.15 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.43 129.9 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.896 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -128.18 134.43 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 60.22 110.882 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.28 134.96 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.922 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -134.32 116.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.73 131.19 56.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.889 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.05 113.94 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.858 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.8 124.79 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.832 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.56 129.6 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 127.18 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.835 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.62 125.77 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.13 111.09 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.86 127.1 21.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.959 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.42 139.39 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.942 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -143.98 142.67 30.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.897 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.76 146.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 73.41 111.098 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.87 139.14 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -132.66 136.61 46.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 5.9 tt -139.02 135.64 34.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.851 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -135.6 125.41 25.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.25 136.06 53.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.879 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.184 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 60.6 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.338 . . . . 74.41 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 142.12 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . 0.549 ' NE2' HD22 ' G' ' 28' ' ' ASN . 0.5 OUTLIER -103.79 127.11 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.929 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.08 9.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 75.2 112.517 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 3.3 t -131.82 127.2 36.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 75.14 111.143 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -121.47 124.8 45.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 120.58 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.129 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.84 128.22 46.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.859 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.23 119.16 23.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.41 129.19 56.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.919 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -133.4 134.54 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 65.41 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.95 133.52 33.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 75.44 110.916 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.1 122.23 23.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.59 131.86 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 75.11 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.68 109.56 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.843 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 122.12 28.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.899 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 134.63 47.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.871 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.88 128.64 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 75.24 110.892 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.87 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.51 111.098 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.95 124.5 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.914 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -126.57 120.28 29.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 72.13 110.897 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -138.33 143.5 39.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.979 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 m -142.78 154.13 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.4 111.135 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.03 143.42 50.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -144.14 126.01 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.906 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 tt -131.49 129.26 40.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.939 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.48 128.69 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -131.64 134.61 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.136 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 60.6 m170 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.344 . . . . 74.24 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 141.76 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.21 110.78 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.04 125.06 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 70.22 110.851 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.67 137.87 8.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 60.44 112.532 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 105' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' F' ' 26' ' ' LEU . 3.9 t -130.35 130.93 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 73.02 111.17 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -119.18 130.01 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.61 118.24 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.178 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 124.52 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 72.51 110.916 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.51 120.11 22.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.14 127.39 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.93 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 13.2 m -133.95 135.35 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.786 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.61 133.65 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 70.04 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -133.64 123.53 25.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.12 133.65 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 75.12 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.75 110.15 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.883 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.16 122.47 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.861 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.29 134.91 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.886 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.36 130.89 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.867 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.65 42.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.08 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -137.0 125.59 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.54 110.868 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -129.28 120.91 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -137.06 143.64 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 70.4 110.894 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.84 151.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.14 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.63 144.75 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.952 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -142.5 128.8 19.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 62.02 110.907 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 tt -129.46 129.47 44.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.956 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.16 133.18 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.867 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.95 132.92 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.52 111.127 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m170 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.735 0.302 . . . . 65.4 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 44.6 m -76.52 138.85 40.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.848 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.65 140.58 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 70.54 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.28 140.45 8.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 74.51 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.9 t -132.41 135.0 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 74.43 111.165 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -128.87 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 63.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 127.8 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.32 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.9 126.85 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.931 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -129.01 115.45 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -111.77 129.5 56.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.86 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.11 134.64 36.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 65.31 110.873 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 135.37 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 73.01 110.84 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.84 126.1 29.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.936 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.76 123.17 30.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.78 114.27 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.852 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.0 124.35 30.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.797 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -130.7 138.9 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.13 136.44 52.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.916 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 124.05 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.101 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -131.99 122.59 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.868 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -134.39 121.59 21.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.55 143.04 39.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.888 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.0 159.56 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 75.42 111.162 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.48 137.44 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.898 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 122.86 22.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.924 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.75 130.86 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 5.6 mmt -127.03 125.2 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.902 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -126.91 131.99 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.161 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 73.35 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -75.37 139.11 42.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.794 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -120.28 139.98 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.15 7.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 63.41 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 4.8 t -129.57 136.88 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 71.11 111.131 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -130.08 127.83 40.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.917 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.29 127.09 45.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.132 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.05 127.08 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.875 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -128.73 114.81 17.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.92 129.25 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.945 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.26 134.41 36.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 54.11 110.86 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.32 134.97 36.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.956 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.12 126.13 31.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.65 123.81 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.32 113.08 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.916 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.17 127.28 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.877 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -129.95 140.11 50.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.6 138.24 54.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.2 123.23 25.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.128 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -132.53 123.21 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -138.51 119.43 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.91 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -138.8 142.53 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 17.7 m -142.72 156.37 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 73.3 111.112 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.75 134.87 32.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.892 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.79 123.55 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.36 132.67 54.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.45 127.63 46.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.915 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -124.7 133.4 53.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.095 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 73.51 111.153 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.58 112.49 14.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 65.33 110.812 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 m -127.03 148.14 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 74.43 111.169 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -143.36 135.15 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 61.31 110.785 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.98 137.86 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 75.15 110.904 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -146.1 124.1 12.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.41 110.917 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 124.75 25.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 72.42 110.871 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -136.79 130.79 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 75.4 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.21 150.67 51.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -139.08 130.14 26.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.21 122.27 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.53 110.906 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.18 138.58 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.922 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -137.16 127.53 26.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.847 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -124.8 121.21 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.98 139.14 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.02 111.105 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -138.98 124.19 19.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.43 123.34 47.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.23 125.25 43.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -141.28 130.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.155 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.09 149.18 47.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.924 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -144.47 132.32 21.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 75.52 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.23 137.67 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.946 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -130.38 135.12 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.01 176.89 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.145 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.813 0.339 . . . . 62.35 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.05 161.89 41.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.879 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.84 162.48 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.888 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.07 136.84 5.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 74.3 112.491 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -124.21 121.49 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 71.34 111.167 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.35 119.08 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -120.19 149.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.15 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -139.38 135.32 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.869 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.13 136.85 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.936 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -144.46 125.46 14.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 75.43 110.91 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.29 127.63 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 75.23 110.8 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -134.1 134.37 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 75.41 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.8 147.3 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.37 126.47 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.92 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.37 122.97 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.955 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.03 137.45 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 51.11 110.83 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -136.66 124.54 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.822 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.87 122.38 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.824 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.29 139.28 53.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.15 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -138.95 125.08 20.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 63.23 110.945 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.52 126.42 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -122.98 124.97 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.856 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -142.27 127.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 63.43 111.145 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 149.89 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.919 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -143.47 131.74 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.916 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.44 138.25 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.51 110.935 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -129.95 135.06 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.897 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -155.68 176.83 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 70.24 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.105 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 74.02 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -154.05 156.05 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 52.21 110.918 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.08 150.52 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.22 6.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.515 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -125.65 119.75 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 74.52 111.217 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 113.5 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -127.97 147.31 50.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.1 m -136.16 135.31 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.786 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 121.53 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -124.07 129.65 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.956 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -134.27 138.91 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 64.41 110.839 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -148.3 139.44 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -137.1 136.04 37.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 70.31 110.916 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 126.86 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.71 126.22 32.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 72.3 110.893 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 122.02 18.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.881 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -125.91 136.46 53.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -130.16 136.76 49.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.25 131.46 45.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.32 111.076 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.51 124.31 33.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.908 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.79 122.0 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -124.13 119.32 29.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.843 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.23 134.36 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 73.31 111.094 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.28 127.54 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.978 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -123.46 128.83 50.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.914 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 130.1 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -164.49 154.02 13.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.42 111.187 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 75.44 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -153.35 156.0 37.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.859 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.68 147.3 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.911 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.32 134.45 5.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 61.23 112.525 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -123.83 118.74 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 72.45 111.142 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.17 119.25 23.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.823 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -123.81 146.53 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 73.24 111.1 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.7 m -133.48 135.57 44.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.84 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.55 119.17 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.871 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -124.09 129.5 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -133.86 140.52 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.037 -0.529 . . . . 64.52 110.864 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -144.86 140.39 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -135.61 135.9 40.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 74.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 126.27 35.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.898 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.05 126.99 35.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.785 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 119.4 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.925 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -124.56 133.8 53.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.54 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -133.57 137.17 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.5 131.92 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.43 111.091 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.65 125.04 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 61.45 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.01 123.8 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.37 118.66 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.88 133.43 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -143.15 127.7 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.885 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -125.5 131.11 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.34 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.33 139.99 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.913 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.9 129.55 20.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.877 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -165.31 154.12 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 65.42 111.104 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 73.53 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.93 156.1 41.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.893 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -157.2 140.36 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.0 128.23 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 70.12 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 5.8 p -121.62 122.28 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.329 . . . . 74.53 111.185 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.93 112.69 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 75.24 110.843 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -128.88 148.9 50.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.03 111.126 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -141.22 135.32 30.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.838 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.21 119.7 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.873 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -123.48 122.86 39.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 63.34 110.919 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 140.66 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.927 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -152.69 135.2 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -131.15 135.53 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 115.0 18.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.22 122.69 43.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.35 119.0 20.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.851 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 139.53 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.856 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.9 145.69 42.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.798 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.5 143.34 50.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.071 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.35 134.01 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -139.93 136.69 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.11 110.799 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.26 118.34 23.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.09 116.24 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' HA ' ' M' ' 107' ' ' THR . 0.0 OUTLIER -147.45 139.13 24.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.982 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . 0.46 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.2 p-90 -141.74 140.55 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -127.45 127.3 43.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.953 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -120.05 131.35 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.844 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -163.98 154.25 15.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.158 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.14 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.99 156.24 41.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.85 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -153.65 136.14 15.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 72.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 128.41 4.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -119.95 121.51 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 70.25 111.128 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.43 117.55 19.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.915 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 24.4 m -124.6 149.24 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.35 111.088 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -137.83 135.41 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.939 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.55 117.11 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 110.795 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -123.09 123.38 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.968 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.91 139.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.862 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -148.44 137.07 21.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 63.31 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -130.7 134.06 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.84 116.23 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.5 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.9 122.76 41.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.912 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.33 119.87 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.5 137.68 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 75.32 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -138.74 143.06 38.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.63 140.39 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 61.43 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.87 135.56 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.936 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.851 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -125.95 117.45 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.804 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.35 118.33 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.15 111.13 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.07 134.4 19.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.883 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' F' ' 25' ' ' TRP . 1.6 p-90 -139.96 140.42 36.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.944 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.84 128.01 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 60.22 110.882 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.24 129.89 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.871 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -164.94 153.84 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.888 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.51 111.146 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.337 . . . . 73.11 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -174.57 160.09 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.909 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -159.0 138.35 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 128.24 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 64.21 112.53 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -121.69 119.28 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 71.4 111.128 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -128.45 121.77 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.53 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -134.23 143.14 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.052 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -133.7 135.21 43.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.896 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.91 115.67 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.857 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -121.02 121.46 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.981 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -129.76 143.2 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.801 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -157.04 137.51 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.12 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -135.35 140.03 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.935 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.58 123.14 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.94 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -125.8 124.57 41.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.924 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 126.55 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 70.14 110.833 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -131.46 139.59 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 75.21 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.74 138.19 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.88 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.43 139.33 50.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 72.22 111.136 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.22 134.09 28.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.93 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.55 134.54 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.25 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.25 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.2 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.2 t -137.96 133.54 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.15 111.11 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.54 130.67 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 52.22 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 130.32 44.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -128.28 132.18 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.915 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.81 36.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.01 110.942 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.45 162.58 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 74.01 111.117 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 71.04 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -173.82 161.39 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.844 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -155.36 133.46 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 128.76 5.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 64.03 112.539 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -120.68 119.88 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 74.12 111.097 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -127.09 125.51 41.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 63.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -129.75 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.093 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -130.84 134.94 47.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.1 112.96 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.05 110.886 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -121.31 121.21 37.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 72.55 110.962 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -128.72 142.15 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 64.12 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -152.61 139.27 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.2 110.879 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -133.21 138.28 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.04 120.06 24.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 63.12 110.905 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -126.48 123.14 37.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.863 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 124.16 25.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.86 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -131.59 136.49 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 75.53 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.24 137.98 44.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.827 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.99 140.07 51.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.33 111.05 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.57 133.96 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.97 132.53 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 73.4 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.79 137.67 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.48 129.99 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 73.14 111.097 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 129.0 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.944 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.21 128.76 38.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.06 132.4 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.961 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 128.48 31.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.842 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . 0.439 HD22 ' NE2' ' P' ' 103' ' ' GLN . 0.2 OUTLIER -165.18 164.93 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.841 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.01 111.161 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 73.51 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.33 166.69 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.84 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.1 127.35 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 75.35 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.31 138.99 10.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 65.13 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -128.97 119.19 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 75.41 111.142 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -116.57 126.33 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.855 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.4 122.87 34.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -130.76 128.12 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.825 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -142.56 136.01 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 54.21 110.858 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -133.59 130.89 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.983 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.46 134.68 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.874 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 128.79 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 72.22 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -134.84 125.14 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 61.13 110.917 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 137.86 54.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.41 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -140.01 117.18 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.887 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 27.3 m -120.78 133.67 55.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.68 124.45 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.892 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -129.35 125.39 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.879 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.15 123.69 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -130.37 128.24 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.91 133.31 41.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.809 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -146.03 143.96 29.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 74.35 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.1 155.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 74.5 111.11 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.02 135.08 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.872 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -136.49 113.45 10.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 72.42 110.938 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -121.73 130.78 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.932 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.5 129.16 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 71.01 110.871 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.05 139.84 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 64.44 111.063 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.795 0.331 . . . . 75.31 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.2 166.68 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.79 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.4 125.9 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.928 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.2 137.68 9.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -129.05 119.3 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 64.31 111.122 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -117.75 126.1 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.867 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.38 121.48 32.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.112 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -133.3 124.76 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.941 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -144.15 139.78 29.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -131.05 130.04 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.2 135.04 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.89 128.09 29.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -133.24 126.23 31.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 74.1 110.949 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.02 139.63 53.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -137.08 119.56 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.852 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 27.0 m -122.27 130.6 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 70.1 110.843 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.89 125.37 23.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -130.05 128.74 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.03 126.26 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.108 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -132.93 127.16 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.23 134.97 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.846 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -146.12 139.25 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 13.9 m -141.65 154.54 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.12 138.58 46.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.947 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -130.76 115.87 17.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -119.97 131.04 55.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.44 133.99 51.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.901 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.84 138.05 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.129 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 60.4 m170 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 74.54 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.05 161.62 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.937 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.11 128.93 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.932 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.49 137.5 8.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 73.3 112.463 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.4 t -133.9 136.28 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 75.2 111.128 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -132.58 114.53 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.182 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 124.64 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 73.21 110.829 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.49 132.18 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 71.11 110.965 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -131.14 127.65 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.93 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -126.92 134.14 50.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 63.01 110.974 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 133.93 44.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.04 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -133.69 115.98 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.32 120.96 39.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.529 . . . . 74.42 110.904 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -129.23 113.25 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.888 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -129.45 131.4 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.855 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.26 143.36 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.833 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.53 140.53 44.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.905 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.44 123.67 20.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -134.41 129.15 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.957 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.27 129.96 32.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.857 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -140.8 144.94 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.886 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.81 154.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 71.43 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -126.34 130.57 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -133.36 111.04 10.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -121.06 129.99 53.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 65.31 110.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.56 125.04 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.904 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -128.15 134.41 49.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.04 110.911 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.158 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 71.5 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.57 162.64 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.853 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.29 126.49 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.94 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.96 135.66 7.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.653 -0.784 . . . . 72.55 112.416 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.8 t -132.46 129.07 38.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 75.32 111.137 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -127.77 111.66 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 75.53 110.867 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.23 125.97 54.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.32 111.108 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 124.41 23.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -135.12 133.67 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.857 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -129.3 127.78 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.914 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -127.61 135.41 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 60.22 110.862 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.82 134.53 46.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.513 . . . . 74.12 110.878 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -131.84 115.43 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.7 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.901 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.33 114.11 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.861 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 84.4 p -129.64 130.43 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.86 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -137.89 143.86 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.824 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.31 140.35 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.83 124.24 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.13 111.073 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -135.04 127.54 30.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.08 131.85 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.53 144.67 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.32 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.74 150.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.41 111.155 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -130.42 133.11 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.919 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -129.56 111.97 13.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 128.67 47.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.857 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -125.83 132.77 52.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.128 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.803 0.335 . . . . 74.41 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 148.98 26.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.876 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.79 130.3 53.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 75.2 112.48 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 132.34 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 75.14 111.089 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . 0.46 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 35.7 t80 -129.03 127.0 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.918 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 107' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' E' ' 24' ' ' GLN . 11.3 p -133.35 116.2 15.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.148 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 28.0 t -133.16 134.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.91 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -131.61 143.37 50.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.793 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -131.24 140.98 49.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.928 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -146.63 134.23 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.852 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 133.24 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 75.44 110.866 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -125.24 115.09 19.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.853 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.23 121.57 39.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -132.61 111.12 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 75.0 m -127.17 126.6 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.87 138.55 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.822 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -126.92 140.19 52.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.78 123.18 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 70.51 111.074 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.86 126.23 24.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.967 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.68 128.25 28.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.934 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.7 142.98 38.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.899 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 9.5 m -140.58 154.7 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.4 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.05 134.84 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -138.92 112.36 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.71 134.54 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.1 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.71 124.18 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.881 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -126.0 140.74 52.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.905 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.168 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.719 0.295 . . . . 74.24 110.814 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.29 148.99 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.81 126.54 52.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 70.22 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.01 135.53 7.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.764 . . . . 60.44 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.9 132.74 43.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 73.02 111.131 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -126.86 129.49 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 15.7 p -129.4 117.47 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.191 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -134.07 125.22 27.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.51 110.889 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -134.25 144.47 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -133.59 139.64 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.913 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -143.61 134.81 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.851 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.88 133.56 43.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 70.04 110.935 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -126.15 115.2 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 74.23 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.01 121.09 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.12 110.969 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -134.66 109.73 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.911 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 75.6 m -125.92 129.88 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.89 137.09 42.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 139.74 53.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.6 124.32 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 73.35 111.171 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.43 126.9 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 73.54 110.901 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -137.51 127.58 25.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.884 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -136.82 142.25 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 70.4 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 m -141.07 150.2 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 75.12 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -131.8 136.09 47.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -136.62 115.12 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 62.02 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.79 134.71 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.8 125.71 36.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.881 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -121.78 139.73 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.086 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.4 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -75.07 174.84 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.88 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.19 134.92 54.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.6 138.54 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.659 -0.781 . . . . 74.51 112.436 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.83 132.02 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 74.43 111.166 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -128.75 133.62 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 63.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.46 131.17 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 75.32 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.92 136.76 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.889 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -134.94 136.77 42.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.849 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.52 128.9 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.914 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -135.35 135.34 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 65.31 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -136.36 133.52 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.886 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -131.03 119.66 22.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.931 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.33 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 73.24 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 111.38 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.874 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -130.03 129.57 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -137.77 141.62 40.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.72 140.78 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.823 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.56 123.67 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.156 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -137.02 124.39 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -134.93 127.29 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -138.38 143.7 39.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.05 151.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.42 111.164 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -130.03 137.42 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -139.58 116.61 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -125.58 132.23 52.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.922 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 124.23 38.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.875 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -123.33 134.83 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.32 111.165 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 73.35 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 52.5 p -76.66 177.44 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . 0.439 ' NE2' HD22 ' H' ' 28' ' ' ASN . 0.3 OUTLIER -116.88 134.95 54.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.8 140.06 8.41 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 63.41 112.518 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.25 136.28 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 71.11 111.145 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -129.16 133.47 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.59 130.26 34.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.194 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.36 139.14 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.829 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -136.3 136.06 39.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.874 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 127.76 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -137.59 134.76 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 54.11 110.86 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -139.14 132.7 30.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.905 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -130.81 120.02 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.941 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 118.25 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.844 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.64 109.98 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.811 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -129.09 131.28 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.24 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -138.99 140.59 38.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 141.8 51.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.82 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.33 123.53 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.35 111.096 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -136.79 126.15 24.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.921 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -137.98 125.56 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -137.54 143.89 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 74.22 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.96 150.21 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.084 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -131.63 136.47 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -139.44 117.69 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.939 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -126.1 132.69 51.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.969 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.69 125.47 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.948 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.91 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.953 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.53 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.76 0.314 . . . . 73.51 111.147 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -126.07 111.65 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.836 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.09 141.15 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.141 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -140.29 134.88 31.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 61.31 110.859 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.76 118.82 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.15 110.87 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.72 127.04 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.934 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -136.65 136.79 39.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 72.42 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 138.97 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.955 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -133.1 143.75 49.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -138.78 137.54 36.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.21 122.87 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.895 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.11 128.46 50.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.903 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -128.43 130.75 48.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -132.27 121.79 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.07 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 71.02 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -144.11 123.74 13.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 75.11 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -118.59 128.59 54.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.94 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.51 122.76 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.823 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.4 117.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.39 143.64 47.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.915 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -156.74 143.03 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.57 147.96 50.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 75.01 110.933 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.54 133.69 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.878 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -136.78 173.28 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.187 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 62.35 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.18 156.71 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.808 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -155.11 143.03 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 130.51 4.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.3 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -122.09 126.21 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 71.34 111.154 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.5 112.24 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 139.93 49.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.23 111.127 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -136.65 134.74 37.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 73.12 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.7 119.78 13.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 64.32 110.906 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -128.57 128.37 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.923 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -133.56 138.89 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 75.23 110.835 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.8 138.0 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.876 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -131.12 142.59 50.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.98 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -142.01 135.24 29.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -142.32 123.04 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.896 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 128.58 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 51.11 110.802 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -125.98 127.46 45.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . 0.531 ' N ' ' HZ3' ' J' ' 112' ' ' LYS . 8.1 ttm-85 -135.33 121.22 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.87 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.11 143.19 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 72.15 111.134 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -143.09 124.07 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.903 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.53 131.67 56.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.84 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -123.7 120.89 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.37 117.58 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 63.43 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.49 148.81 49.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.876 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -152.63 134.51 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.973 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.63 148.79 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.5 133.53 48.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.882 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -136.59 172.38 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 70.24 110.931 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.119 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 74.02 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.29 155.35 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 52.21 110.9 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.32 145.04 21.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.962 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.17 128.31 4.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 73.44 112.501 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -121.84 125.82 47.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 74.52 111.16 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.02 111.49 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 139.84 50.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.155 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.3 m -140.03 134.87 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.835 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 120.51 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -130.38 123.51 30.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.911 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.05 136.69 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.849 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 138.41 37.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -132.49 138.0 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.968 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.53 130.55 40.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 72.14 110.966 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.27 123.01 24.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.824 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.94 119.89 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.893 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.77 132.86 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.881 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -132.33 132.01 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 140.32 50.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -146.24 123.29 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -124.42 139.25 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.82 131.44 49.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.947 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.44 117.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 73.31 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.19 135.53 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.914 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.405 ' NE1' ' HB3' ' K' ' 106' ' ' PHE . 6.1 p-90 -139.86 148.91 42.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.91 148.73 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.55 110.832 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.24 130.66 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.829 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.55 153.95 17.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 70.42 111.194 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.822 0.344 . . . . 75.44 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.25 154.84 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.916 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -154.0 141.45 19.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 130.43 4.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 61.23 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -121.51 123.49 42.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 72.45 111.115 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -123.99 112.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 74.12 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.62 138.41 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 73.24 111.165 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -135.84 134.96 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.879 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.39 119.86 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.802 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -130.88 123.23 28.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.917 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.17 138.85 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 64.52 110.889 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.12 138.26 41.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.969 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 11.0 t80 -132.28 136.11 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 74.31 110.961 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.62 130.08 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.922 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.85 124.31 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.867 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.94 119.29 27.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 131.4 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 73.54 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -135.1 131.99 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.32 139.02 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.062 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.68 123.37 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 61.45 110.896 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -121.42 141.41 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -126.71 132.3 51.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.66 121.03 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 73.4 111.179 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 135.44 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.854 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -140.75 140.5 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' J' ' 105' ' ' THR . 0.1 OUTLIER -128.37 141.98 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.918 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.69 126.99 26.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.851 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -166.16 152.89 9.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.02 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.168 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 73.53 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.04 158.8 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.845 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.866 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.89 3.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 70.12 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.15 132.53 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 74.53 111.171 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.32 111.76 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.915 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 136.19 53.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.03 111.169 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -136.97 134.31 36.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.859 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.12 132.5 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.35 110.84 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -141.39 127.32 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.901 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.6 134.94 47.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.818 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -137.58 126.78 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.875 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.78 124.13 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.949 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 112.51 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 75.22 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -114.05 121.04 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.9 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 53.6 p -133.75 138.78 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.85 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -142.52 139.83 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.869 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.26 132.92 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.879 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.93 139.54 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.44 111.146 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -146.9 123.52 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.976 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.31 135.95 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.832 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.55 132.5 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.912 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.79 117.76 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.23 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -151.94 137.45 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 4.4 p-90 -139.03 143.5 38.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -120.99 134.45 55.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.968 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -126.79 131.66 51.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.861 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.09 177.12 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.116 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 73.14 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.19 157.24 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.8 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -151.89 145.38 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 72.44 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.82 129.38 3.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.503 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.11 129.95 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 70.25 111.123 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.74 113.44 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 136.42 53.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.35 111.171 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -132.76 134.66 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.54 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.19 131.5 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 64.31 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -141.46 127.0 18.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.915 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.74 132.9 44.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.832 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -139.81 128.95 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 63.31 110.915 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -129.29 123.07 30.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.02 112.84 24.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.929 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.36 122.29 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.924 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 53.9 p -133.19 139.64 47.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.822 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -143.3 138.38 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.829 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -136.37 135.11 38.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 73.13 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.69 139.74 52.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 61.43 111.113 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.17 124.15 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -126.9 137.91 53.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.814 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.58 135.88 54.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.844 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.23 121.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 74.15 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -151.84 136.8 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -143.97 142.43 30.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.76 133.49 55.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 60.22 110.94 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptp -127.8 129.9 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.883 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.48 177.2 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.178 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 73.11 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.67 153.62 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.884 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -151.61 144.34 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.05 128.35 4.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 64.21 112.505 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -121.62 131.97 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.3 . . . . 71.4 111.147 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -131.3 111.7 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.826 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 134.45 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.32 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.83 135.22 47.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.849 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.64 130.42 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -140.51 134.15 30.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.854 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -124.12 138.83 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 72.4 110.83 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -134.75 124.06 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.93 131.69 53.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.915 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -129.84 112.4 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -123.14 122.45 38.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.12 129.63 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.912 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.18 138.9 45.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.898 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -133.92 135.46 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.63 139.17 54.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.22 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -148.6 124.17 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 73.1 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.56 128.09 34.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 72.25 110.891 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.18 133.24 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.47 138.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.15 111.102 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.8 151.95 34.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 52.22 110.947 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -152.98 131.41 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 71.51 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -121.22 133.47 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.7 ptp -125.94 133.64 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.935 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -160.59 174.83 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.866 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.01 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 71.04 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.12 152.38 34.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.872 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -149.93 141.6 23.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.974 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 131.17 4.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 64.03 112.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -119.09 129.9 55.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 74.12 111.108 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.77 112.26 12.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 132.37 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.199 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.24 134.59 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.838 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.66 126.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.816 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -139.63 131.77 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.55 110.919 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -126.82 136.93 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 64.12 110.834 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -136.32 126.3 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -121.87 133.19 54.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -125.68 112.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 63.12 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -120.99 122.58 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.842 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.07 128.65 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 72.13 110.84 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -133.86 135.41 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 75.53 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -134.79 134.59 41.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.881 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.29 138.63 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.106 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -146.31 125.58 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -133.68 129.15 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.4 110.832 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.08 135.34 54.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.817 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -136.33 136.21 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 73.14 111.114 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.46 151.33 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.93 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -160.71 130.06 4.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -121.99 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.44 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.43 131.69 52.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.938 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -162.25 176.55 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.141 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.831 0.348 . . . . 73.51 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -179.93 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.01 110.827 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.21 127.1 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.893 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.77 139.08 13.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.498 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 5.7 m -130.77 124.88 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 75.41 111.123 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -121.9 133.65 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.917 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -138.87 120.09 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.113 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 27.4 t -130.53 132.83 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.23 140.62 35.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 54.21 110.826 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -131.59 127.63 37.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 75.54 110.966 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.92 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.903 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.12 128.33 33.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.831 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -129.83 124.61 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.902 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.75 126.4 41.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.922 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.48 112.24 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 70.42 110.829 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 9.4 t -113.4 139.68 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.794 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -150.36 139.26 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 74.12 110.826 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 135.4 29.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.836 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.45 123.68 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.035 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.5 123.82 28.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.9 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -132.68 126.05 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.24 110.866 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -142.16 144.9 33.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.905 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 11.7 m -142.77 160.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -139.52 139.04 36.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.898 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.55 122.5 24.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 tt -116.2 125.7 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.406 . . . . 74.51 110.972 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 3.6 mmt -122.69 124.81 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.902 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.942 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.44 111.117 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 75.31 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 -179.82 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.895 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.39 127.08 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.891 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.23 138.59 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 74.24 112.478 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 105' ' ' THR . . . . . 0.42 ' HA ' ' HG ' ' D' ' 26' ' ' LEU . 5.8 m -126.37 122.97 36.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.338 . . . . 64.31 111.097 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -125.79 137.27 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 13.9 m -138.94 118.64 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.22 111.15 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 27.3 t -132.56 126.75 33.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -144.71 143.53 30.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.14 127.75 42.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.888 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.18 134.5 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . 0.531 ' HZ3' ' N ' ' B' ' 18' ' ' ARG . 0.4 OUTLIER -133.98 128.46 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.899 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.76 125.57 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.1 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 125.47 36.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 73.43 110.913 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.0 112.19 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.862 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 9.3 t -116.21 138.5 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.86 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -147.87 142.12 26.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 75.11 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.51 136.7 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.857 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.14 126.26 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.118 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.11 122.71 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.958 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -132.55 129.98 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.809 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -141.0 143.99 34.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.46 158.17 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.14 111.197 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -142.81 139.95 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.932 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -129.89 123.47 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 tt -118.17 124.73 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.946 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.81 127.48 50.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 73.4 110.821 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -126.4 126.91 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 62.14 110.895 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 73.14 111.154 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 74.54 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 147.55 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 71.15 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.59 127.45 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.21 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.52 142.66 13.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 73.3 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 7.0 t -137.29 126.77 25.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 75.2 111.166 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . 0.405 ' HB3' ' NE1' ' C' ' 25' ' ' TRP . 27.8 t80 -125.57 119.78 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.832 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -129.94 124.41 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.51 111.151 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -142.18 147.49 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.911 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.19 148.7 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.839 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.79 128.58 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.903 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -125.17 134.48 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.01 110.897 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 138.47 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -140.74 124.32 16.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 72.24 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 129.41 47.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.937 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.08 109.96 11.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.832 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -115.3 121.35 42.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.819 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.42 144.6 51.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.874 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.64 138.82 27.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.28 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.092 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -129.27 122.11 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.955 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -127.93 125.37 39.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -141.47 142.59 33.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 75.54 110.908 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 8.7 m -142.84 157.05 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.177 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.44 139.31 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 65.15 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -131.09 121.34 24.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.95 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -115.05 124.09 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.926 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.9 mmt -121.49 124.87 45.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.63 129.07 46.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 72.04 110.881 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.02 111.189 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 71.5 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.28 148.94 30.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.05 110.815 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.91 125.52 51.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 71.23 110.84 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.4 136.57 8.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.55 112.48 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -135.0 127.8 31.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.326 . . . . 75.32 111.169 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -126.12 117.97 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -122.24 126.64 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.32 111.18 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 61.8 p -143.53 141.39 30.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.831 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.01 150.04 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.41 127.63 41.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.898 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -123.53 134.58 53.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 60.22 110.822 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.8 140.02 36.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -138.9 125.2 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.69 130.0 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 75.33 110.932 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.97 110.1 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 72.21 110.89 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 122.17 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.852 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.2 146.26 51.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -149.36 139.71 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.35 110.858 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.25 123.94 19.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -126.09 122.38 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.973 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -128.6 126.62 40.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.906 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -138.65 142.35 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.32 110.892 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.46 154.96 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.085 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.24 139.76 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 75.42 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.94 121.75 28.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 tt -116.09 123.41 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.965 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.81 126.43 50.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 128.21 45.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.075 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 74.41 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.65 145.37 26.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.808 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 127.46 53.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.16 138.66 9.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.48 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 12.7 t -125.81 134.12 51.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 75.14 111.199 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . 0.442 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 18.3 t80 -124.68 121.96 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -128.62 129.08 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.205 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 68.6 p -147.17 146.83 30.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.835 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.37 149.53 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.73 127.78 39.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.927 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.66 134.75 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 65.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 141.47 36.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -138.74 133.46 32.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.966 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 129.75 37.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.943 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.31 117.55 14.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -131.86 127.64 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.881 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -124.97 130.39 52.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.4 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 119.34 33.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.24 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.56 123.42 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.51 111.099 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -132.31 122.27 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.862 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -129.72 128.52 42.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.848 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.08 143.59 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.897 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 8.3 m -141.49 154.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.085 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.24 140.43 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -128.75 130.23 46.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.96 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -122.89 125.27 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.32 125.01 44.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.906 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -128.3 132.31 48.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.853 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.172 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.34 . . . . 74.24 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.82 144.96 26.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.801 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.88 125.0 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.68 135.01 6.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.828 -0.701 . . . . 60.44 112.516 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 11.1 t -130.44 132.78 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 73.02 111.181 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -125.29 120.61 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -126.16 129.18 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.11 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 69.5 p -147.88 146.48 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.804 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -146.12 150.31 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.32 110.886 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.71 127.05 41.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 75.11 110.977 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.72 134.59 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 74.35 110.827 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.91 141.98 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.914 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.71 133.2 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 129.22 37.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -137.29 118.04 14.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.874 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -131.12 126.09 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -124.63 129.13 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 72.34 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 120.68 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -124.03 123.75 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.35 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -130.04 122.34 28.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -131.26 129.5 41.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.51 110.897 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.46 141.11 29.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 70.4 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.74 153.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.083 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 138.52 42.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.878 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -128.49 127.76 43.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 62.02 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -124.64 124.13 41.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.926 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.7 129.09 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 72.22 110.84 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.73 130.76 50.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.869 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.181 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 65.4 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 50.0 m -78.04 177.88 7.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.813 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -124.44 129.03 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 70.54 110.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.31 139.36 9.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 74.51 112.474 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 5.3 t -125.14 124.29 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 74.43 111.157 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -119.15 132.15 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 63.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.46 138.54 38.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 75.32 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.47 142.76 23.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.822 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.99 133.52 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.835 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 129.82 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.962 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.16 135.81 43.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 65.31 110.882 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -140.32 143.06 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.01 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -135.29 127.05 29.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.33 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.28 126.5 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.901 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.18 129.55 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -139.51 134.12 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.842 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 140.23 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.84 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -127.49 119.68 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.888 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -119.4 123.53 44.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 74.35 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.35 131.83 46.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.03 118.18 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -144.58 139.36 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.831 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -144.69 151.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 75.42 111.174 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -127.25 139.39 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.873 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -133.53 128.11 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 73.3 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -122.53 128.4 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.82 124.98 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.9 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.12 128.29 44.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 64.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.15 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 36.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 73.35 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -76.02 177.43 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.1 110.852 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -126.04 127.22 45.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.914 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.73 138.63 8.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 63.41 112.577 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.5 t -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 71.11 111.11 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.02 133.35 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.8 138.56 37.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.41 111.072 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 142.2 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.912 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -142.92 132.49 23.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.881 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -118.01 129.44 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.88 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.83 134.85 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 54.11 110.801 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -139.6 142.7 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 73.41 110.905 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -135.49 126.77 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.14 127.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.99 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.99 128.15 35.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -136.81 135.2 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.868 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.77 137.71 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 72.44 110.89 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -126.62 120.32 29.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.85 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.18 123.19 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.119 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -126.17 132.74 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -137.81 116.88 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 64.11 110.848 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -141.16 140.11 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.22 110.917 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 8.0 m -145.21 149.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.156 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -128.21 138.18 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -132.21 128.7 38.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.53 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 tt -122.59 128.37 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.953 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.41 127.43 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.85 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.07 128.21 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.153 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.781 0.324 . . . . 73.51 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.91 125.41 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.33 110.922 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 t -137.47 147.91 45.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.125 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -134.58 135.29 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 61.31 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.18 126.83 30.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.944 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -136.46 136.24 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.927 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 138.12 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 72.42 110.836 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.58 136.83 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.4 110.858 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -137.74 137.58 38.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.85 129.67 44.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.913 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -133.07 123.08 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.53 110.789 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -134.63 120.31 19.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.44 130.73 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 74.4 110.94 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.17 139.14 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 71.02 111.134 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.7 125.46 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.889 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.42 132.42 39.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.1 143.09 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.66 137.91 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.152 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -139.67 144.68 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.956 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -137.26 131.68 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.943 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -125.08 136.5 53.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -134.36 134.87 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 75.12 110.888 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -152.2 176.89 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 74.24 111.069 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.753 0.311 . . . . 62.35 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -157.31 160.35 38.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.846 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -161.76 130.12 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 128.67 6.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 74.3 112.518 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -126.38 115.85 20.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 71.34 111.102 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.52 132.53 35.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.869 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -132.56 151.72 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 74.23 111.125 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -131.81 135.88 47.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.08 126.78 30.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 64.32 110.899 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -135.39 137.25 42.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.948 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 140.2 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.848 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.07 140.08 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 75.41 110.934 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.851 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.23 128.56 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 73.44 110.927 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -134.06 123.02 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.922 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -134.13 119.91 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 51.11 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.31 125.76 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 72.33 110.904 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.876 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.67 139.08 50.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.15 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -134.87 123.83 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.966 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.75 133.41 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.802 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' J' ' 109' ' ' ASP . 0.1 OUTLIER -134.76 141.46 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.851 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 140.68 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 63.43 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -138.9 145.64 40.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -137.03 130.96 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -125.39 136.64 53.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -136.92 132.57 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.862 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -152.71 177.05 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.183 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.786 0.327 . . . . 74.02 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 159.33 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 52.21 110.859 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -157.48 130.77 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.935 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 137.99 10.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.478 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.93 113.89 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 74.52 111.22 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -126.56 123.55 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -136.6 146.49 46.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.071 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -136.22 135.18 38.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 64.24 110.814 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -133.92 124.74 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.842 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -126.66 130.18 49.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.942 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.21 135.45 48.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.9 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -146.15 123.96 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.909 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.54 126.75 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 70.31 110.888 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.4 113.76 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.928 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -117.91 121.72 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.3 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -133.33 141.26 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.912 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -142.63 136.9 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.882 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 138.8 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.3 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.89 50.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.15 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.89 123.65 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.909 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.77 138.15 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.896 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.66 128.79 39.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.884 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -141.07 119.61 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.31 111.096 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.59 137.28 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.919 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 1.5 p-90 -140.42 144.09 35.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.987 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.87 132.02 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.03 133.01 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.873 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -164.4 135.99 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 70.42 111.081 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 75.44 110.798 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.4 159.0 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.826 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -156.04 129.75 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.13 137.09 9.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 61.23 112.389 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -133.37 113.96 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 72.45 111.117 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -127.43 128.21 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -130.31 143.52 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.24 111.095 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -134.06 134.86 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.827 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -139.77 121.56 15.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.82 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -125.96 127.15 45.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 134.24 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 64.52 110.895 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -145.9 127.06 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.84 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.95 122.55 30.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.907 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.18 114.47 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -116.34 122.39 44.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.807 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 92.3 p -131.46 141.19 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.878 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -142.6 135.44 28.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 73.54 110.892 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 138.35 51.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.0 139.89 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.159 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.28 125.21 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 61.45 110.916 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -120.66 138.91 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.901 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -129.16 127.32 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -143.37 123.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 73.4 111.133 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 132.89 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.929 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 1.5 p-90 -139.26 141.0 37.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.868 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.18 130.84 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.901 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -126.47 129.98 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.834 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -164.95 134.84 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.119 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.72 0.295 . . . . 73.53 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.14 154.79 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 73.53 110.883 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -154.41 130.22 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.55 128.38 6.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 70.12 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -121.04 127.58 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 74.53 111.167 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.26 112.09 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.926 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 142.61 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 72.03 111.119 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -138.17 135.34 35.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 121.41 18.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.847 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -133.33 125.91 30.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.951 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -136.79 125.53 23.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -128.54 123.72 34.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -117.11 136.83 52.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 75.05 110.921 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.58 141.2 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 75.22 110.867 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.85 126.72 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.23 110.865 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 61.1 m -136.97 119.26 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.893 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 141.9 50.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.897 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.64 142.98 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 75.25 110.841 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.83 22.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.89 127.27 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.31 121.2 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 63.11 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.84 116.98 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -126.72 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.23 111.18 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -150.23 152.73 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -150.49 130.27 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.52 133.69 54.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -127.49 134.06 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -163.53 132.88 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.872 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.179 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 73.14 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.85 153.6 34.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -153.02 129.43 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.35 129.65 5.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.45 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -124.52 124.63 42.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 70.25 111.088 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.68 115.8 14.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.83 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 143.94 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.35 111.147 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -135.64 136.33 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.821 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.79 15.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.896 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.7 128.61 39.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.91 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -133.54 126.69 31.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 64.23 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -126.25 124.39 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.904 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.33 127.84 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 72.33 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 135.74 55.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.39 123.94 18.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.834 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 60.3 m -134.81 120.3 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.8 140.45 52.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.861 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -142.12 142.35 32.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.851 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.61 127.44 23.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.43 111.127 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.9 130.46 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.946 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -131.16 123.47 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 73.12 110.893 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.06 117.52 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.98 138.33 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.15 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -150.45 152.33 34.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -158.21 129.57 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.921 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.06 133.19 53.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 60.22 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.99 133.09 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.852 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -164.64 132.31 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.855 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.13 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.808 0.337 . . . . 73.11 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.95 160.8 37.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.932 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.37 162.6 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 128.02 2.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.726 -0.749 . . . . 64.21 112.48 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -121.1 134.7 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 71.4 111.106 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -140.16 112.28 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.841 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.62 141.66 51.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 70.32 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -137.55 135.0 36.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.869 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -135.64 129.73 33.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -138.77 121.43 16.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.83 131.73 53.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.835 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.0 135.41 48.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 72.12 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -135.7 129.84 33.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 73.31 110.93 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -126.88 124.13 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.73 123.62 40.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.854 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -137.98 123.96 20.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 145.66 47.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.835 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.7 146.08 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.835 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.98 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -142.87 134.37 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.52 112.7 7.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -109.38 136.08 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.2 110.865 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -141.21 133.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 72.15 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -139.19 121.32 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 52.22 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -118.41 132.04 56.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 132.17 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.922 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -128.62 133.77 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.878 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.35 146.55 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.122 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 71.04 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 161.23 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.835 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.23 160.16 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 132.41 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 64.03 112.466 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 74.12 111.115 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -140.09 114.96 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 63.22 110.902 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 140.62 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.12 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -133.82 135.33 43.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.94 127.1 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.05 110.854 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -137.71 120.52 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.937 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.77 131.35 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.865 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.01 136.61 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.2 110.939 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -134.28 131.15 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mp -126.17 122.69 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 63.12 110.918 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.2 122.78 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.849 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -136.98 123.02 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.885 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.35 47.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.05 143.78 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.894 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.91 143.55 43.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.104 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -140.22 135.01 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.911 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.25 112.05 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.41 136.82 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.29 129.92 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 73.14 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -139.99 116.76 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.864 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -119.06 129.99 55.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.94 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.58 132.1 48.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -129.41 130.05 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 73.14 110.919 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.85 144.66 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.24 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.125 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 73.51 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.09 151.14 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.798 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 127.57 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 75.35 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.83 138.36 10.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 65.13 112.477 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.54 120.09 19.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 75.41 111.146 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -118.52 127.58 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 22.2 p -128.89 116.09 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.19 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 25.0 p -122.3 128.81 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.893 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -128.62 127.62 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 54.21 110.831 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -129.71 130.61 45.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.886 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -136.82 141.68 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 74.22 110.816 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 135.49 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 72.22 110.907 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -129.88 121.51 26.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 61.13 110.908 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.29 127.18 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.855 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.56 115.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.822 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.87 141.28 46.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 150.88 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 74.12 110.819 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.79 144.9 46.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.16 123.68 13.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 74.54 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -130.81 132.42 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 72.33 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -136.41 123.71 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.822 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -142.22 142.74 32.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 m -141.74 154.96 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 74.5 111.158 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -128.62 134.75 48.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -135.79 118.4 15.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 tt -128.72 131.54 47.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.981 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 124.42 35.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 71.01 110.901 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.16 132.16 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 64.44 111.152 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.22 151.39 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 53.43 110.823 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.7 125.59 54.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.84 135.84 8.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 74.24 112.514 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.06 119.3 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 64.31 111.142 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . 0.4 ' HB3' ' CE2' ' D' ' 25' ' ' TRP . 10.3 t80 -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 74.25 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 21.5 p -126.91 116.5 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.158 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 25.1 p -122.97 123.57 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.841 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . 0.416 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 22.8 m-20 -130.57 129.26 42.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.923 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -130.4 127.73 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.968 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -136.06 145.32 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.82 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.84 137.1 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.934 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.05 121.97 34.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.64 128.68 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 73.43 110.955 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -135.19 117.66 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.812 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.85 140.02 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 70.1 110.799 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.12 148.93 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 75.11 110.886 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.36 147.61 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.883 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.83 127.36 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.03 111.077 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -129.3 131.35 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.45 110.928 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -137.77 126.69 24.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -140.63 140.74 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.5 151.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.151 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -130.33 139.41 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 72.45 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -129.27 120.52 25.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.9 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.24 128.67 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.37 126.49 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.893 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.55 130.73 53.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.835 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.14 111.189 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 74.54 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -114.35 143.68 44.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.15 110.822 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -110.41 129.59 55.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.933 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.28 138.44 9.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 73.3 112.55 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 11.6 t -128.03 134.22 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.2 111.071 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . 0.44 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 19.6 t80 -125.49 121.45 33.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.915 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 6.5 p -129.27 122.73 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.163 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -143.03 145.14 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 73.21 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -147.75 151.34 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 71.11 110.9 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -136.58 142.71 43.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.935 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -135.62 139.94 44.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 63.01 110.827 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.61 137.13 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.868 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.08 115.0 11.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.22 129.49 55.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.81 120.19 19.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.826 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.12 126.57 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.84 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.886 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.05 125.62 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.12 123.09 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.056 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -139.77 121.29 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.03 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -130.66 125.72 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -139.04 140.62 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.938 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.87 152.37 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.43 111.132 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.22 145.02 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 65.15 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -143.7 114.95 7.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.4 137.65 54.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 65.31 110.92 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.62 124.21 27.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.74 129.4 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.913 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.126 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.804 0.335 . . . . 71.5 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 144.5 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 72.05 110.833 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -109.34 125.5 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.83 135.17 6.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 7.3 t -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 75.32 111.189 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -126.78 122.48 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -125.45 124.64 41.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.146 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.77 139.59 31.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 75.12 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -151.85 152.72 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 73.15 110.912 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -135.26 140.44 45.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.96 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -136.07 138.06 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 60.22 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 139.45 39.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.12 110.904 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -135.8 116.38 13.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.968 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.13 130.26 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.33 110.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -137.05 120.54 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.873 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.71 127.91 39.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.858 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -125.95 124.44 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.14 128.94 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.884 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.8 123.53 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.112 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -136.25 122.32 20.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.98 124.79 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.806 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -138.07 141.43 40.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 4.6 m -142.25 153.39 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.141 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 148.54 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.902 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -142.0 116.46 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 138.68 54.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 71.45 110.944 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.52 125.79 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.892 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -121.68 127.37 50.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 74.41 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 56.8 p -110.04 171.12 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 75.54 110.906 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -114.21 129.31 56.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.935 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.17 138.61 10.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.49 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.3 t -125.55 125.6 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 75.14 111.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -121.48 121.8 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.868 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.88 131.83 53.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 71.44 111.17 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.62 124.67 20.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.871 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.24 125.7 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.905 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -123.38 127.92 49.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.902 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.58 134.24 45.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.91 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 139.7 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 75.44 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.4 123.41 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.903 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.69 125.33 44.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.926 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.26 117.38 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.884 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.62 145.39 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.867 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -144.11 143.4 31.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.839 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -140.32 131.1 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.912 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.72 123.05 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.51 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.94 122.42 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -130.57 120.61 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.13 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -140.58 142.34 35.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.912 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.16 153.05 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 73.4 111.159 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.13 128.91 44.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.924 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -129.38 128.59 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.56 135.49 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.67 124.67 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -124.23 134.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 75.02 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.25 111.11 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 74.24 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 56.7 p -109.52 171.13 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 75.21 110.9 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -114.28 125.8 54.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 70.22 110.942 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.79 137.0 8.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 60.44 112.518 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -127.42 126.18 41.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.02 111.152 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -119.25 121.59 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 75.21 110.853 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.59 131.58 55.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 74.34 111.131 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.31 123.95 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.45 127.19 34.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -122.2 127.57 50.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.924 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.2 136.19 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.905 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.15 142.57 47.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 70.04 110.934 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -137.89 123.18 19.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.94 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.24 124.53 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.12 110.919 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.95 118.93 21.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.838 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.68 141.41 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.91 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -143.82 147.22 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -149.02 131.72 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.857 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.82 123.66 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -124.77 122.04 36.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.895 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -139.65 141.49 37.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 70.4 110.864 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.68 149.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.12 111.175 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -130.5 130.37 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.899 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -125.47 129.93 50.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 62.02 110.916 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 tt -134.43 132.96 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.918 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.89 127.74 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.84 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -123.68 132.41 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.1 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.332 . . . . 65.4 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m -102.59 179.42 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -117.88 145.09 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 70.54 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.94 149.82 21.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 74.51 112.504 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.8 m -138.36 125.41 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.43 111.181 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -120.92 119.38 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 63.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.44 129.73 56.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.078 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.33 130.06 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.11 110.864 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -133.48 114.86 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.21 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.66 134.2 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.44 111.014 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.53 134.63 30.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.835 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 132.54 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 73.01 110.871 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.2 117.47 20.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.962 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.77 122.06 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.92 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.1 113.85 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.813 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.56 132.94 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.31 110.858 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.46 153.27 42.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 145.77 27.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.883 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.49 127.73 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.35 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -123.69 121.98 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -128.05 123.4 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.73 143.35 32.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.1 151.6 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.113 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 137.73 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -136.22 127.72 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt -130.5 133.9 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.907 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.21 127.72 43.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.899 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -128.2 134.22 49.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 64.51 110.88 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.073 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 73.35 110.796 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 10.8 m -102.44 179.5 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.1 110.852 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -118.78 144.29 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.81 149.37 21.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.41 112.472 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 3.9 m -137.2 126.75 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 71.11 111.12 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.25 119.23 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.871 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 129.79 55.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 73.41 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.18 131.29 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.849 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.32 116.2 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 74.14 110.84 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.25 134.09 52.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.897 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.79 134.56 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 54.11 110.92 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 132.98 43.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.921 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -129.59 117.69 20.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.42 123.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.877 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -135.85 112.95 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.92 135.35 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.833 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.27 154.51 43.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 72.44 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.08 146.32 27.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.11 126.84 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.35 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.97 122.78 38.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -131.68 121.98 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 64.11 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -142.3 143.34 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.807 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.24 149.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.107 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 136.43 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -135.07 128.94 33.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.954 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -130.94 134.27 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.36 130.95 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.861 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.59 133.41 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.42 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 74.53 111.214 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.787 0.327 . . . . 73.51 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.44 112.23 16.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 m -125.53 147.14 49.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.159 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -146.77 134.64 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.817 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.61 133.61 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -143.75 125.47 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.925 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.04 143.85 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 72.42 110.834 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -147.1 145.3 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 75.4 110.821 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -140.91 134.34 29.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.26 125.39 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.41 110.948 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -127.28 122.82 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.848 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.65 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.926 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.84 131.95 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.886 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -128.31 128.65 45.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.77 137.49 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 71.02 111.098 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.59 124.1 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -119.08 124.47 46.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.58 123.56 39.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.914 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -138.63 123.04 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.03 148.17 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.894 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -147.63 135.41 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -131.57 145.01 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ptp -133.07 144.08 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.12 110.908 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -152.65 157.29 40.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.134 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 62.35 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -131.32 152.87 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.895 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -165.7 165.43 18.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.24 133.95 3.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.2 p -123.82 119.48 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 71.34 111.058 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -127.22 117.55 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 m -119.01 149.06 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.23 111.126 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -141.47 135.55 30.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.72 133.5 36.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 64.32 110.764 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -142.87 127.89 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.829 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.7 144.47 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -144.88 148.5 33.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -137.72 133.86 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.911 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.91 122.78 38.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 73.44 110.899 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.07 124.06 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.89 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.54 119.8 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 51.11 110.926 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.04 129.14 51.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 72.33 110.857 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -131.26 129.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.73 135.79 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 72.15 111.092 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -133.32 124.71 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.23 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.06 126.46 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.834 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.68 124.01 41.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.46 122.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 63.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.15 148.65 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 71.33 110.885 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -146.61 134.21 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.938 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.17 144.83 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptp -132.75 143.21 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.84 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -152.15 157.88 42.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.12 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.774 0.321 . . . . 74.02 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.59 149.89 52.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 52.21 110.825 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . 0.408 ' NE2' HD21 ' I' ' 128' ' ' ASN . 4.3 tp60 -164.43 135.84 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.71 128.32 5.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 73.44 112.47 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -125.93 117.92 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 74.52 111.134 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -125.08 119.9 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -129.22 147.11 51.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 70.32 111.154 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -139.87 135.04 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -135.72 128.34 30.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 72.12 110.872 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -136.69 122.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.976 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.74 133.17 45.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.865 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.27 140.44 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.895 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -134.58 137.49 43.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 70.31 110.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.96 121.48 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.934 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -126.86 123.17 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.3 110.809 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -134.72 121.3 20.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -126.29 134.59 51.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -129.26 135.95 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.885 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.12 131.4 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 111.096 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.87 125.39 29.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.911 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.47 128.02 43.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -124.0 124.36 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.49 119.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.31 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.51 121.96 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -117.72 129.73 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.5 136.8 46.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.903 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.73 132.44 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.853 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -160.45 145.71 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 70.42 111.168 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.813 0.34 . . . . 75.44 110.865 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.33 149.23 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.859 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.19 130.49 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.889 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.77 129.82 5.44 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 61.23 112.45 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -122.57 117.1 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 72.45 111.174 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.71 119.46 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -123.7 146.51 48.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.084 -0.507 . . . . 73.24 111.111 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 t -137.72 135.12 36.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.832 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.41 127.42 25.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 75.34 110.867 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -135.75 122.07 20.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.957 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 133.84 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.853 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.6 141.05 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 74.24 110.897 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.5 137.04 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.19 121.48 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.928 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -125.86 124.29 40.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.869 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -134.13 119.62 19.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.865 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -125.65 134.0 52.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 73.54 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -130.79 136.14 48.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.24 131.55 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.159 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.55 126.96 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 61.45 110.843 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.91 130.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.901 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.26 124.41 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 72.3 110.832 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -136.66 117.71 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 73.4 111.138 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.33 117.04 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.915 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -118.71 131.34 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.969 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.16 139.24 46.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 129.71 25.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.912 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -164.2 144.93 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 65.42 111.173 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.75 0.31 . . . . 73.53 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -144.44 153.01 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.53 110.876 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -168.81 133.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 126.1 6.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 70.12 112.467 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -129.86 122.67 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 74.53 111.185 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.72 113.38 17.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.852 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 72.03 111.085 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t -133.15 134.6 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 72.42 110.873 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.58 122.27 23.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.87 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -125.39 122.62 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.34 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.69 131.7 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 75.3 110.881 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -145.19 121.23 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.17 124.61 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 75.05 110.929 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.99 112.91 24.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.22 110.876 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -119.3 122.21 41.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.909 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -136.43 139.51 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 74.13 110.841 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -141.16 137.42 32.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.519 . . . . 74.13 110.806 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -129.5 125.81 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.63 135.79 53.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.089 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.45 124.2 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.22 122.26 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 63.11 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -113.65 132.17 55.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.921 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.39 122.02 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 135.97 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 74.03 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.7 p-90 -136.86 141.46 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.88 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -120.75 129.45 53.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptp -122.48 134.02 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.839 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.23 140.03 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.34 110.968 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.18 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 73.14 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -143.64 154.72 43.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -162.85 130.3 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 72.44 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.66 129.69 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 63.31 112.456 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -123.13 119.32 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 70.25 111.119 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -127.85 115.07 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.97 139.43 50.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.121 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t -131.9 134.63 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.54 110.868 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.85 120.02 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 64.31 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -124.22 120.11 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.899 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.16 131.56 53.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 64.23 110.808 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -144.94 122.95 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 63.31 110.875 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 122.38 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.929 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.07 112.96 24.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 73.5 110.96 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -117.76 122.07 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.9 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -135.14 139.6 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.857 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -140.95 133.96 29.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.857 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -129.93 125.85 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.13 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.77 135.04 54.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 61.43 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.56 124.87 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.855 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.1 123.95 29.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 73.12 110.823 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -113.07 132.01 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.888 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.7 t -142.62 123.25 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.156 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.32 132.0 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -136.31 138.88 42.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 60.22 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -121.55 130.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.834 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.85 139.66 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.14 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.756 0.312 . . . . 73.11 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -145.81 158.16 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.882 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -167.18 169.3 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.926 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.28 128.08 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.765 . . . . 64.21 112.46 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -124.72 121.24 34.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 71.4 111.126 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -125.8 116.05 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.845 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.33 141.89 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 70.32 111.114 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -136.12 135.14 39.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.897 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.39 129.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -132.83 129.5 38.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.954 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.14 131.53 48.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.799 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' O' ' 118' ' ' ARG . 0.0 OUTLIER -141.17 122.08 14.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.873 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.04 127.71 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.99 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.54 112.6 23.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -118.19 121.91 41.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.37 137.28 37.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 70.14 110.915 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -140.35 136.9 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.853 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 134.27 47.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.846 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.79 135.24 51.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.22 111.048 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -139.97 131.87 27.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.892 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.89 134.96 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.2 110.927 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 28.6 t -145.77 117.42 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 72.15 111.09 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.44 135.34 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.933 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . 0.476 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 10.0 p-90 -137.9 138.48 39.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 71.51 110.92 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.98 125.42 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.0 132.56 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 72.01 110.874 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.78 148.82 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.834 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.01 111.149 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.748 0.309 . . . . 71.04 110.784 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -145.63 159.15 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.783 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.15 165.7 19.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.3 130.36 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 64.03 112.425 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -119.47 119.78 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.12 111.175 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -127.0 117.64 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.863 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -124.26 141.48 52.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.089 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -132.87 135.22 45.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.828 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.01 126.52 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 74.05 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -132.41 126.77 33.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.829 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.49 130.66 49.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 64.12 110.841 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 123.96 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.927 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -114.38 113.57 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 63.12 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -118.23 122.88 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.6 136.85 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.875 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -141.05 136.96 32.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 75.53 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.01 44.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.886 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.95 135.43 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.136 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -140.0 133.03 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 74.22 110.899 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -141.02 142.56 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -129.53 136.94 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.898 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -145.6 118.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 73.14 111.094 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.07 127.94 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.939 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -139.05 136.93 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.52 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -125.19 123.93 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.945 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 130.29 52.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.842 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.02 149.27 7.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 72.24 110.9 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.196 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.738 0.304 . . . . 73.51 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 26.3 p -147.88 163.79 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 72.01 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -107.34 127.08 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 75.35 110.914 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.49 139.08 10.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 65.13 112.5 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.8 118.73 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 75.41 111.11 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -119.95 125.2 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.02 120.48 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.239 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.4 127.39 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.82 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.38 137.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 54.21 110.818 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -135.48 127.7 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.934 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -120.69 134.37 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.842 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -130.67 129.28 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -132.53 116.11 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.961 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.75 126.09 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.915 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -135.03 109.86 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 70.42 110.892 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.66 133.59 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 73.32 110.852 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -138.96 139.76 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.845 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.75 149.26 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.849 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.0 123.47 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.73 128.7 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.08 131.18 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.85 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -146.19 143.63 29.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 74.35 110.889 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.78 158.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.191 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.85 135.88 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -135.39 114.09 11.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.914 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 tt -120.06 131.45 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.924 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.23 126.48 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . 0.408 HD21 ' NE2' ' C' ' 3' ' ' GLN . 3.3 t-20 -127.26 139.4 52.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 64.44 111.21 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.863 0.363 . . . . 75.31 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 26.1 p -148.15 164.06 35.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 53.43 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -106.96 126.13 51.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.51 138.28 9.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 74.24 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 119.2 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 64.31 111.098 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -121.48 123.54 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.46 118.84 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.188 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.83 124.47 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.894 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.81 141.19 36.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.871 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -134.66 127.59 31.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.986 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -118.15 135.01 54.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 64.41 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -131.57 129.84 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -129.64 117.14 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.886 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.57 126.3 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.925 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.34 111.24 10.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.859 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.96 129.83 42.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 70.1 110.861 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -142.12 140.25 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.856 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.92 151.05 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.936 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.75 125.16 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.065 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.9 128.7 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.45 110.92 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.58 134.72 37.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -144.8 141.7 29.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.51 156.16 26.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 74.14 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.56 139.97 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 72.45 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -131.14 115.41 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 tt -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.923 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -127.48 130.22 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.833 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -126.12 137.04 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 62.14 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 74.54 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -154.42 169.76 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.886 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.05 126.84 47.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.21 110.922 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.33 136.56 8.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 73.3 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 13.2 m -131.38 137.91 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 75.2 111.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -134.85 110.72 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.884 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 4.8 m -109.5 118.87 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 71.51 111.114 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.83 127.56 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.2 138.17 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.843 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.64 127.79 39.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.868 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -129.31 134.23 47.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 63.01 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.16 133.64 39.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.859 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -132.37 115.58 15.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.32 114.58 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.956 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.58 113.39 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.83 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 18.5 p -131.12 129.99 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.15 110.859 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -137.73 137.65 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.13 110.792 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.35 143.4 50.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.95 122.85 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.24 111.109 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.03 125.34 29.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.03 110.872 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -132.81 120.89 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -135.72 141.68 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.861 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.0 156.13 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.43 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.1 138.81 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 65.15 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -135.92 110.86 8.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.95 128.09 54.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 65.31 110.872 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.33 124.03 40.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -124.7 139.1 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.836 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 111.145 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.5 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -154.34 169.44 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 72.05 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 126.31 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 71.23 110.877 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.88 135.05 7.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.82 -0.705 . . . . 72.55 112.511 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 5.8 m -131.29 132.73 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.32 111.159 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -130.62 109.32 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.53 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 4.6 m -107.84 117.37 33.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.181 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 124.54 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.843 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.29 138.52 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.804 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -130.04 127.6 40.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.858 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -128.71 134.65 48.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 60.22 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 133.84 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -130.1 115.25 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.97 114.84 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 75.33 110.87 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.21 114.26 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 72.21 110.855 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 17.6 p -129.88 130.0 44.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.807 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -137.4 135.06 36.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.34 110.815 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.78 145.17 50.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.929 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.66 126.18 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.103 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.46 126.43 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -133.39 121.6 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -134.51 138.02 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.91 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 7.6 m -142.48 152.75 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.41 111.157 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -136.71 141.32 43.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 114.94 13.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 127.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.45 110.899 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.66 126.79 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.857 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -121.22 136.92 54.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.181 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.832 0.349 . . . . 74.41 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.26 176.37 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 75.54 110.876 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -119.48 130.65 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.41 110.925 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.4 138.84 9.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 75.2 112.497 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 12.1 t -126.18 130.55 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 75.14 111.128 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . 0.45 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 21.2 t80 -121.45 118.16 28.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.86 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -125.31 121.87 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -139.25 142.48 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.895 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.23 131.36 19.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.51 132.33 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.923 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.75 137.46 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.41 110.861 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.51 135.27 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -128.54 121.13 28.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.1 110.916 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.83 125.05 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 75.11 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.15 122.63 30.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.971 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -132.69 129.79 39.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.856 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -131.11 125.05 32.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.918 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.82 119.83 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.915 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.12 122.79 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 70.51 111.05 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -142.84 121.45 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -128.25 125.92 39.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -139.54 143.98 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.856 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.99 155.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.4 111.176 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -129.15 133.27 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.24 109.39 11.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.86 25.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.923 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.11 122.44 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.943 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -122.24 136.79 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.197 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.24 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.59 176.58 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.821 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -118.98 129.99 55.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 70.22 110.865 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.71 137.39 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 60.44 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -129.7 130.54 45.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 73.02 111.119 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -122.55 118.16 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -118.95 123.66 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.34 111.13 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -141.11 138.91 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.826 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -146.95 132.28 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 72.32 110.83 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -120.16 129.68 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.868 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.98 137.25 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.35 110.818 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.47 135.74 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 70.04 110.898 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.48 121.63 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.966 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.52 125.67 49.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.97 119.46 21.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.55 110.875 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 13.1 m -134.41 131.99 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.846 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -131.34 124.16 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 72.34 110.89 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.21 120.55 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.86 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.9 124.66 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 73.35 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -138.0 124.77 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.54 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.25 124.46 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -136.27 142.85 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 70.4 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.7 m -141.82 152.76 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.117 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -132.26 133.66 44.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.861 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 108.91 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 62.02 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.43 116.78 28.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 73.2 110.929 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.56 128.27 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.872 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -118.83 134.41 55.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 71.52 111.17 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.321 . . . . 65.4 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.3 p -120.7 177.7 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.82 147.23 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 70.54 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.63 137.23 5.57 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 74.51 112.463 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 15.3 t -129.13 131.37 47.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 74.43 111.206 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 37.1 t80 -123.46 123.35 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 63.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.55 121.97 28.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 75.32 111.136 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 142.25 36.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.2 154.28 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -143.14 140.17 30.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.957 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -147.12 139.47 24.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.31 110.875 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 141.82 36.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 73.01 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -134.91 124.24 24.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.35 126.74 46.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 73.24 110.884 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.07 126.66 32.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.902 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 126.29 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 71.31 110.828 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 126.12 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 75.43 110.896 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' G' ' 12' ' ' LYS . 5.5 mtt180 -112.12 119.47 38.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.963 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.78 122.29 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.115 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.91 121.0 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.984 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -128.0 125.12 38.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.44 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.96 141.87 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.29 152.11 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.163 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 136.57 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.879 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -134.23 113.81 12.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -117.1 132.01 56.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.94 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.7 mmt -124.78 136.68 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.903 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.02 137.0 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 64.51 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 72.32 111.131 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 73.35 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 83.2 p -120.51 178.37 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 64.1 110.88 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.53 146.02 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.864 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.36 138.56 6.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 63.41 112.529 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 13.7 t -129.97 131.29 45.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 71.11 111.204 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -122.01 124.23 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.859 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.36 121.52 27.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.41 111.181 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 4.1 m -140.85 141.64 34.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.837 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.97 154.52 45.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.923 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -144.41 137.42 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.872 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 23.0 t -148.26 137.55 22.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 54.11 110.861 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 140.34 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.929 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -134.7 123.66 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.04 127.8 50.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.936 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.95 124.9 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.34 110.884 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 127.33 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.838 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.17 124.31 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 72.44 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -113.43 119.39 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.881 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -124.13 123.53 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 72.35 111.121 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 124.82 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.874 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.2 122.85 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.935 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.905 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -142.83 148.0 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.152 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.74 134.14 47.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.908 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.24 114.67 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 tt -118.14 130.22 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 63.44 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.8 mmt -125.66 136.93 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.916 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.0 135.77 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.53 111.126 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.775 0.322 . . . . 73.51 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -135.74 111.78 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 65.33 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 m -128.54 147.63 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.124 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t -146.46 135.45 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 61.31 110.833 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -144.61 126.2 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.849 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -145.44 133.71 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -133.45 142.54 48.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 72.42 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 140.76 47.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.854 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -141.68 126.72 18.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.911 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -125.7 129.7 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -135.33 122.88 22.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 75.53 110.867 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 p -130.3 127.3 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.852 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -123.65 139.27 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.931 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -139.06 119.87 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.01 144.15 47.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 71.02 111.146 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -135.48 124.11 23.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 75.11 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.0 124.42 50.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.57 122.25 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.815 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.62 135.37 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -130.32 134.7 47.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -138.75 129.88 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.02 150.15 51.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 75.01 110.923 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 150.08 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.894 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.71 176.78 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.142 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 62.35 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -148.22 162.18 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.912 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -164.25 161.41 21.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.944 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.29 142.83 8.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 74.3 112.542 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -132.37 136.12 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 71.34 111.154 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -138.54 115.47 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.0 m -123.3 147.41 47.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -143.11 137.71 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 73.12 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -144.99 121.34 10.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.938 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -146.21 134.63 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.941 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -132.04 147.96 52.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.862 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 75.41 110.881 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -138.56 125.72 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.884 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.94 129.34 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -136.41 123.64 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.827 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -127.54 128.95 46.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -122.35 136.94 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -142.93 123.35 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.7 143.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.15 111.09 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -135.62 127.37 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 63.23 110.916 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 128.56 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.69 123.03 34.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -138.97 130.18 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.172 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -134.12 140.01 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.946 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -136.55 130.26 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.63 148.59 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 75.51 110.953 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.57 149.58 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.906 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.97 176.44 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 70.24 110.921 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.121 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.725 0.298 . . . . 74.02 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.31 154.1 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 52.21 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -155.56 148.88 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 127.7 3.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.665 -0.779 . . . . 73.44 112.418 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -122.67 125.9 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 74.52 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -122.4 112.16 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.9 140.27 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 70.32 111.127 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.15 135.12 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.838 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.5 123.85 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 72.12 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.97 135.18 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.935 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -132.14 144.08 50.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.838 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.75 140.39 42.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.864 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -142.53 127.17 18.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 70.31 110.907 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.17 130.25 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 72.14 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -132.55 122.94 25.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.831 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 71.0 m -131.9 120.49 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.886 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -116.23 133.91 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.53 110.807 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.49 123.5 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.858 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.0 133.3 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 70.32 111.178 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.76 124.15 27.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.879 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -122.39 128.8 51.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 74.32 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.24 117.42 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.6 138.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.166 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -139.99 139.77 36.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -137.7 128.94 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -120.78 134.55 55.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 74.55 110.94 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.8 ptp -129.01 135.08 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -162.09 139.97 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 70.42 111.102 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.765 0.317 . . . . 75.44 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.21 153.47 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.842 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -153.96 145.67 23.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 130.62 3.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.23 112.493 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -119.06 123.21 43.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.45 111.094 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -123.11 113.13 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.873 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.88 138.4 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.24 111.138 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.57 134.57 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.841 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.39 121.32 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 75.34 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.96 132.22 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.953 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -134.18 147.89 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.52 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 143.96 49.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.6 122.92 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.991 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.09 129.79 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.876 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.35 123.59 25.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.955 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -129.32 120.48 25.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -117.06 133.02 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.01 122.68 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.73 133.42 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.062 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 124.28 26.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 61.45 110.913 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -120.19 131.26 54.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -132.75 116.33 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.3 110.862 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -129.58 136.72 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 73.4 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -144.02 140.92 29.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 75.33 110.85 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -139.21 129.74 25.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -120.81 132.01 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -127.4 130.68 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.919 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -164.64 139.91 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 75.02 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 65.42 111.128 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 73.53 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.51 149.71 41.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.53 110.844 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -146.76 149.08 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 74.24 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.4 128.1 3.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 70.12 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -124.68 129.75 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 74.53 111.127 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -123.43 111.34 16.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.53 137.31 53.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.12 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -139.08 134.74 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.903 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -137.26 133.07 34.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 72.35 110.803 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -140.13 127.91 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.92 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 135.99 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.866 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -137.27 126.26 24.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 74.53 110.893 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.97 118.3 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 75.05 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 114.76 28.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.73 121.95 44.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 64.23 110.876 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -135.3 138.8 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 74.13 110.874 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.14 140.65 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.16 143.67 42.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.9 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.56 137.71 48.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.44 111.172 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.31 126.72 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.86 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -132.57 129.78 39.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 63.11 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.04 124.49 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.894 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 t -135.53 134.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.23 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.16 125.0 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -121.44 131.71 54.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.29 132.56 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 73.25 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -127.94 134.52 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 74.3 110.9 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -162.23 140.99 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.873 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.13 111.22 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.744 0.307 . . . . 73.14 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.66 149.55 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 74.43 110.862 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -143.97 143.86 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.893 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 130.31 3.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.746 -0.74 . . . . 63.31 112.472 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.22 127.81 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 70.25 111.084 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -122.78 112.23 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.61 135.81 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.177 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -133.6 134.77 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -140.77 129.72 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 64.31 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -141.5 127.61 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.99 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.76 135.75 49.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -138.43 125.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 63.31 110.883 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.73 119.44 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.93 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.98 113.72 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 73.5 110.909 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.44 122.92 47.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -134.32 138.53 45.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.837 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.32 141.04 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.895 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.23 144.22 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 73.13 110.886 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.31 136.42 48.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 61.43 111.119 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 128.08 30.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.901 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -130.83 131.06 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 73.12 110.802 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.36 123.55 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.92 133.69 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 74.15 111.161 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.46 121.86 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.904 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' TRP . . . . . 0.427 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 17.3 t-105 -122.16 129.0 51.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.946 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -125.76 132.12 52.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 60.22 110.937 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' MET . . . . . 0.427 ' HB3' ' CZ2' ' F' ' 25' ' ' TRP . 2.9 ptp -129.51 131.5 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.891 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -160.96 140.92 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.874 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 73.51 111.172 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.883 0.373 . . . . 73.11 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.57 153.26 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.895 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.94 155.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.95 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.63 128.02 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.804 -0.712 . . . . 64.21 112.537 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.7 133.2 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 71.4 111.184 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.83 111.39 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.88 139.8 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 70.32 111.191 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.49 134.68 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.909 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.22 113.46 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -118.45 126.26 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.97 132.12 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 72.4 110.835 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.94 128.08 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.02 127.07 35.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.93 113.69 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.938 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.6 120.67 40.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -137.53 142.4 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 70.14 110.841 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -147.76 148.85 31.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.925 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -138.75 143.86 39.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.32 46.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.42 129.59 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -132.09 131.74 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.872 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.73 128.47 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.934 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.12 122.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.149 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.84 137.76 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 25' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 5.4 p-90 -139.36 143.51 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -126.36 124.66 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.42 132.63 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.876 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.58 160.81 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.53 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.119 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 71.04 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.25 152.51 39.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.842 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.95 151.9 37.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 128.42 2.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 64.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -123.56 130.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 74.12 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -131.13 112.74 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.902 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.27 138.6 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 74.23 111.196 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.9 134.89 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.906 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.56 110.88 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.848 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -118.19 125.86 51.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.55 110.914 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.87 130.48 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.864 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -138.15 129.52 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.2 110.899 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 126.15 31.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -116.03 115.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 63.12 110.959 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -114.14 121.75 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.843 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -135.84 141.53 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.887 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.13 148.59 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 75.53 110.897 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -138.17 143.19 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.2 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.39 132.56 42.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.886 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.3 132.17 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.851 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.09 130.33 37.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.899 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -145.34 123.53 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.086 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -150.54 135.19 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.914 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -144.89 142.02 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 71.52 110.943 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -129.8 121.94 27.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.04 130.65 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.14 110.946 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -166.06 160.84 16.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 72.24 110.879 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 74.01 111.114 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 17.8 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 73.51 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.0 p -164.99 154.69 13.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.854 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -102.7 127.48 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 75.35 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.08 9.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 65.13 112.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.41 131.54 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 75.41 111.104 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -129.16 123.25 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.83 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.75 126.59 52.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.43 111.146 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 5.0 p -128.58 124.26 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -148.4 143.54 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 54.21 110.824 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -150.25 140.8 22.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.913 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -123.43 146.61 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.821 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.98 128.3 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -127.95 133.83 49.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 61.13 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.92 116.97 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.869 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.83 112.16 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.894 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 30.1 p -124.54 123.07 39.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.32 110.866 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -137.8 135.56 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 75.53 110.902 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.35 126.98 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.056 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -118.84 122.63 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.935 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -126.97 123.52 37.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 74.24 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -146.01 146.65 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.841 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 23.4 m -141.29 163.09 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.5 111.071 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -133.87 135.09 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.3 131.89 40.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 tt -129.74 135.65 48.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 1.4 mmt -134.68 125.75 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.909 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -132.62 139.53 47.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 72.41 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 64.44 111.114 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 17.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 75.31 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.3 p -164.99 155.06 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.836 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -103.96 125.99 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.03 136.45 8.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.526 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 129.56 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 64.31 111.187 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -130.35 120.97 25.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 74.25 110.952 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.95 125.17 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.105 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -129.44 124.6 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.852 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -145.44 148.24 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.814 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -146.78 138.78 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.14 110.901 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -122.92 145.34 48.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.902 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 128.52 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -124.35 134.25 53.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.1 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.52 116.87 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.43 110.6 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.41 110.827 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 29.6 p -126.27 122.25 34.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 70.1 110.869 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -138.71 136.09 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 75.11 110.922 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.31 150.0 49.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.88 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.77 130.04 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.127 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -116.47 124.5 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.913 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.98 124.54 42.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -147.76 142.73 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.852 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.07 158.48 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -138.49 135.65 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 72.45 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.47 133.57 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.9 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 8.1 tt -129.29 135.39 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 73.31 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 1.4 mmt -134.29 129.63 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 73.4 110.919 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -131.87 137.95 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 62.14 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.152 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 74.54 110.819 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 64.6 p -164.98 143.68 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.862 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.85 127.89 54.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 75.21 110.915 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.7 139.17 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 73.3 112.435 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 9.9 m -127.96 122.48 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 75.2 111.123 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -118.04 119.58 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.9 t -120.63 133.79 55.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.098 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.3 124.61 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 140.65 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 71.11 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -138.46 142.97 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.918 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.25 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -132.94 129.3 38.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.1 114.95 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 110.02 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.874 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.8 109.86 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.83 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.02 129.58 45.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.846 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.72 145.11 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.84 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 147.83 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.37 129.64 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 71.24 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.33 123.11 40.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.902 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.95 125.17 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.879 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.38 146.07 30.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 75.54 110.847 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.84 156.96 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.43 111.143 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -131.31 141.22 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.15 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -135.81 119.35 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.869 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.69 125.64 54.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 65.31 110.984 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -123.04 125.15 44.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.909 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.13 129.88 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.927 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.02 111.19 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 71.5 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.15 143.29 6.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.833 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.42 125.57 51.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.885 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.7 136.25 7.91 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 72.55 112.533 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 11.5 m -129.93 120.78 25.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 75.32 111.17 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -118.05 117.41 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.842 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -121.28 131.25 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.32 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.48 124.47 21.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.824 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.93 141.55 47.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.15 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -137.21 142.66 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.906 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.27 135.06 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 60.22 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -132.09 128.35 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.899 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.37 114.74 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.81 111.67 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 75.33 110.888 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.29 109.64 18.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.905 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.55 129.68 46.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.44 110.851 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.55 139.95 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.845 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.42 149.82 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.67 131.0 19.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.33 123.14 42.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.43 110.949 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.82 129.9 51.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 72.51 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -146.36 145.43 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 12.0 m -145.75 154.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.41 111.174 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.85 140.51 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.23 120.09 18.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -113.6 126.4 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.94 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -121.28 128.29 52.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.888 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -128.07 128.92 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 75.33 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.152 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 74.41 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 59.4 p -163.33 148.39 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.909 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.19 129.44 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.872 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.43 138.98 10.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.746 . . . . 75.2 112.522 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.11 122.76 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 75.14 111.157 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -118.37 112.74 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 20.4 p -115.79 119.63 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -129.77 130.87 45.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -139.25 138.0 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -136.03 146.39 47.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.933 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.46 141.08 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 65.41 110.848 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.4 134.98 44.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.861 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -129.55 117.07 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.3 123.84 42.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.857 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.69 110.87 11.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.872 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -130.26 125.25 34.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 134.28 46.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.882 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 129.54 51.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.865 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.76 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.51 111.154 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -135.21 122.11 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.0 130.2 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -145.95 146.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 10.6 m -142.86 155.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 73.4 111.122 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.43 139.94 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.934 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -130.6 121.35 25.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.3 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 tt -109.39 125.95 52.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.929 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -124.64 124.85 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.877 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -130.69 134.78 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 75.02 110.917 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.25 111.147 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.755 0.312 . . . . 74.24 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 58.9 p -163.39 148.54 11.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 75.21 110.903 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.94 127.16 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.09 136.78 7.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.695 -0.764 . . . . 60.44 112.44 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.59 122.07 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 73.02 111.134 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -119.15 111.86 18.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 19.9 p -113.49 118.95 35.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 74.34 111.13 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 15.5 p -129.29 128.0 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 72.51 110.824 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.81 138.78 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -134.19 146.31 50.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.876 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.69 141.01 29.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 74.35 110.84 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -134.13 138.45 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 70.04 110.871 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.17 118.32 25.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.94 122.24 41.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.12 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.18 109.08 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.55 110.917 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 7.4 p -130.55 126.52 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.86 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 129.68 44.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 72.34 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.16 128.7 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.76 132.62 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.35 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -131.03 123.84 29.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.882 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.67 129.87 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.821 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -144.64 144.69 31.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.965 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.21 152.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.155 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.49 138.49 39.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -130.52 120.6 24.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 62.02 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 6.4 tt -111.74 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.933 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -125.39 127.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 72.22 110.88 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -130.61 134.67 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.52 111.161 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 m170 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 65.4 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -76.17 143.19 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.855 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 147.27 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 70.54 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.45 136.53 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 74.51 112.51 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.38 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 74.43 111.105 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 106' ' ' PHE . . . . . 0.475 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 33.5 t80 -129.23 128.9 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 63.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -137.82 125.04 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.32 111.16 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 11.9 p -142.64 145.72 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 73.11 110.889 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.78 157.98 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.843 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -147.44 144.24 28.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.915 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.43 141.76 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 65.31 110.892 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.03 128.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 73.01 110.916 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.68 124.49 44.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 75.33 110.894 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.3 120.28 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 73.24 110.882 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -129.47 112.27 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.858 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 122.12 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 71.31 110.919 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 130.8 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.835 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.95 119.36 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.24 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.119 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.03 122.41 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.878 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.02 126.68 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.853 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -137.05 144.46 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.841 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 10.6 m -142.81 157.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.187 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -134.79 140.8 46.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.13 123.3 24.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 73.3 110.936 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 6.4 tt -115.54 130.4 56.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -129.63 124.98 35.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.94 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.72 131.9 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 64.51 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.136 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 47.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.822 0.344 . . . . 73.35 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 5.4 m -75.3 142.56 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 64.1 110.803 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 146.6 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.11 110.899 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.37 138.7 6.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 63.41 112.524 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.04 135.15 49.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 71.11 111.164 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.58 129.22 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -136.7 125.63 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.207 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 12.2 p -144.26 144.66 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.34 158.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -147.69 143.47 27.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.11 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 54.11 110.847 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.93 128.24 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 73.41 110.896 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -121.74 125.49 46.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.02 120.95 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 75.14 110.857 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -131.86 109.88 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.86 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.28 123.35 37.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.826 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.95 130.94 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.902 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.79 120.01 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.813 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.63 123.48 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.35 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.49 124.85 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 74.33 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.88 124.09 28.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -135.59 143.95 45.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.864 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.97 155.24 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.112 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -135.83 139.95 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -131.61 124.24 29.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 74.53 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 6.2 tt -118.08 128.22 54.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 63.44 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -128.66 128.74 44.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.881 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.75 132.46 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 75.42 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.159 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.811 0.338 . . . . 75.5 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -153.68 163.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 54.41 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -167.02 168.55 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.909 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.66 129.21 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 74.52 112.459 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -121.93 139.14 54.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 73.51 111.142 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.21 121.3 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.33 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 m -133.49 124.87 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 74.43 111.142 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -127.94 134.76 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 61.31 110.878 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.23 129.97 34.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 75.15 110.838 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -143.87 121.71 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.915 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 130.51 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 72.42 110.873 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.51 136.03 37.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.916 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.88 143.5 50.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -134.09 115.49 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 75.41 110.937 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -118.35 125.09 49.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.849 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -132.48 143.35 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.838 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -143.19 135.15 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -129.89 128.5 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.86 142.0 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 71.02 111.064 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.48 124.06 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.12 135.74 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.64 127.78 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.923 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -135.92 116.94 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 74.23 111.133 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -145.07 139.11 27.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -149.45 141.68 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.922 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -136.59 137.06 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 75.01 110.875 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.44 136.74 50.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.864 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.25 176.88 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.909 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.168 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.813 0.339 . . . . 62.35 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -153.46 164.6 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.889 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -166.86 167.18 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 130.35 2.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.703 -0.761 . . . . 74.3 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -122.61 138.7 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 71.34 111.147 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 126.32 20.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -128.81 127.42 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.118 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -126.19 135.54 51.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.81 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 131.24 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 64.32 110.859 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -139.95 125.19 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 134.58 38.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 75.23 110.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 139.7 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.48 140.46 51.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 74.2 110.932 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 tp -136.15 113.55 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.903 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -122.0 123.15 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.83 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -131.19 143.79 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 51.11 110.853 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -142.55 131.68 23.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.925 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -132.39 129.72 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.87 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.32 140.38 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.15 111.107 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.94 123.93 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 63.23 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -119.17 135.91 54.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.845 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.78 125.71 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -138.59 120.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.43 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -139.11 142.09 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.915 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -144.47 138.59 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.58 137.84 42.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.948 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.81 136.41 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.53 110.875 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.84 177.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 70.24 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.11 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 74.02 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.74 160.98 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 52.21 110.832 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -160.55 136.63 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 73.34 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.17 128.54 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 73.44 112.5 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -127.44 116.65 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 74.52 111.136 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -123.57 143.56 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.8 151.07 35.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 70.32 111.144 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -145.48 134.44 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.24 110.87 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 122.57 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.872 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -132.35 122.63 25.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.917 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 138.38 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 64.41 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 137.81 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.939 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -131.78 135.07 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 70.31 110.957 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.65 123.17 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 72.14 110.932 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -128.79 123.55 33.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.3 110.848 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.15 121.3 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.869 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -121.79 136.56 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -134.48 129.35 35.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 74.3 110.886 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.42 142.22 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 70.32 111.092 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -143.78 135.87 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.947 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.77 135.42 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.906 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.25 132.02 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.877 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 92.2 t -133.72 124.39 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.31 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -135.6 133.05 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.953 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.07 130.15 38.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.12 124.02 33.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.954 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.86 135.29 54.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.906 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -161.45 175.7 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.42 111.091 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.69 160.4 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.866 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.79 133.62 8.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.45 130.18 5.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 61.23 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -123.98 115.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.45 111.144 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -122.92 146.26 47.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.44 150.23 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.24 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -141.74 134.86 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.17 121.27 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.34 110.885 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.81 122.99 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.925 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 138.44 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.824 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.56 137.78 32.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 74.24 110.865 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -131.39 134.11 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.0 122.54 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.932 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -130.13 124.03 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.85 119.85 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -122.66 135.03 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -136.92 131.57 33.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.85 141.35 51.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.43 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -144.38 136.46 26.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 61.45 110.958 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -136.41 136.36 39.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.12 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -125.4 130.78 52.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 47.7 t -136.83 126.36 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.4 111.195 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -134.73 132.18 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.904 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.06 129.33 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.949 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.01 121.97 25.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.945 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.52 129.52 52.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.844 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -163.39 177.22 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 65.42 111.153 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 73.53 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.46 157.06 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 129.82 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.922 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.18 132.22 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 70.12 112.508 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -128.43 118.17 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 74.53 111.138 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -125.87 121.11 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 75.24 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -132.1 145.87 51.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.138 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.0 t -137.94 134.91 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.845 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.02 118.53 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.818 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -129.48 120.34 25.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.952 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 130.3 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 153.49 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.9 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -144.77 139.99 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.93 131.74 42.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.22 110.911 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.3 126.3 33.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.875 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -134.18 120.99 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -122.3 136.39 54.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.885 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -132.87 129.59 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.48 140.21 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.096 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -142.66 136.03 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -137.13 136.46 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 63.11 110.909 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.8 130.22 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.31 123.38 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 72.23 111.166 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.3 123.94 35.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.1 131.47 56.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.955 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.38 128.8 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.897 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.63 133.37 48.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.894 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -161.78 176.99 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.872 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.17 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.843 0.354 . . . . 73.14 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.23 157.14 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -154.04 129.75 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.86 133.1 6.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 63.31 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -125.96 118.55 25.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 70.25 111.162 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -124.86 123.65 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 73.13 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -127.63 144.64 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 74.35 111.14 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -135.1 135.14 40.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.851 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.56 116.93 11.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 64.31 110.842 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -129.23 120.86 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.906 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.09 133.2 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.901 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.31 153.38 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 63.31 110.92 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -144.57 137.23 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 72.33 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.0 130.15 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 73.5 110.941 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -134.83 126.01 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.866 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 49.7 p -133.27 119.55 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.858 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -124.45 134.36 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.32 110.874 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -134.61 131.71 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.71 139.89 53.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 61.43 111.156 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -141.52 138.11 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -136.62 137.49 40.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.934 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.17 129.44 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.9 121.85 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.131 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.87 120.39 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 74.34 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.8 129.3 54.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.41 129.82 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 60.22 110.938 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.24 128.69 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -164.5 177.35 8.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.15 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.106 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 73.11 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.09 154.35 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.896 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -152.24 129.87 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.87 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.5 132.6 6.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 64.21 112.455 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -126.92 120.9 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 71.4 111.186 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -125.96 112.77 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -125.47 147.44 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 70.32 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -141.63 135.27 29.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.815 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.45 122.33 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 73.51 110.87 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.26 129.33 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.922 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 30.1 t -140.04 128.57 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -132.39 144.58 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 72.12 110.887 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -140.18 136.9 33.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mp -130.51 124.37 31.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.893 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -124.92 123.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.885 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.18 120.14 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.893 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.33 134.98 53.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -129.03 130.01 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.18 131.59 54.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.112 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.93 124.23 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.94 127.46 34.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 72.25 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.09 134.15 55.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.919 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.95 135.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.15 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -144.74 122.91 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 52.22 110.883 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.52 129.64 51.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.51 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.71 142.58 49.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.924 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.29 130.34 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.855 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -164.99 144.17 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.01 111.143 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 71.04 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.01 154.1 36.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.881 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -150.67 129.57 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.6 133.27 6.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 64.03 112.503 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -125.1 120.3 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 74.12 111.157 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -126.06 116.16 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 147.85 45.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.149 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -137.33 135.06 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.863 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.63 120.23 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.05 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -132.1 132.44 43.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.911 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -137.36 130.11 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 64.12 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -129.63 145.79 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -139.74 134.82 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.879 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mp -130.85 122.99 28.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 63.12 110.915 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -128.78 122.78 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.859 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.19 119.77 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.873 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.6 132.84 52.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.53 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -129.53 130.06 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.879 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.81 131.52 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.121 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.6 125.37 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 74.22 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.79 128.06 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.32 134.59 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.32 110.921 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -141.37 133.26 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.14 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -146.88 120.78 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.929 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -124.15 130.68 52.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.95 143.74 49.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.894 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.7 130.18 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 73.14 110.862 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -165.29 144.32 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.841 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.01 111.121 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 73.51 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.68 160.33 26.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.9 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -108.22 126.96 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.11 138.93 10.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 65.13 112.465 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 3.8 m -134.72 126.47 29.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.343 . . . . 75.41 111.118 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -126.24 130.9 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.91 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 4.3 t -137.09 117.65 13.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.16 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -135.52 143.39 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.842 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -141.33 143.81 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 54.21 110.854 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -130.3 128.57 41.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.928 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -122.41 134.53 54.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.22 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -133.41 130.62 38.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 72.22 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -132.19 119.82 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 61.13 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.36 136.32 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.41 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -141.88 111.78 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 70.42 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.46 34.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.84 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.15 141.07 46.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.881 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.21 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.875 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.64 123.06 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.54 111.142 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.34 126.92 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 72.33 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.7 120.53 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -140.22 141.48 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 74.35 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 4.6 m -143.73 160.68 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.125 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.47 144.36 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 31.0 p-90 -142.49 139.33 31.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.942 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 tt -132.87 139.9 47.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.885 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.1 125.46 37.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.881 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.35 136.72 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 64.44 111.171 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 75.31 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.32 161.24 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 53.43 110.822 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -107.55 125.42 51.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.897 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.27 137.13 9.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 74.24 112.512 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 3.6 m -131.29 126.94 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 64.31 111.126 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -127.12 131.21 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 4.4 t -135.4 120.18 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 73.22 111.147 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -136.33 134.69 38.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.27 145.29 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 71.41 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.62 127.5 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.929 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -121.7 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.829 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -134.25 130.22 36.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.898 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -130.8 120.21 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.02 136.4 54.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 73.43 110.895 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -139.72 109.66 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.908 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.95 121.85 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.1 110.827 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.93 140.8 46.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.897 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 145.31 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.7 123.61 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.03 111.082 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.41 128.98 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.906 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.1 123.84 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -136.81 138.33 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.875 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -144.07 157.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.14 111.138 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.85 144.74 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 72.45 110.939 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -140.62 141.2 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 tt -133.12 138.86 46.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.24 126.83 39.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 135.27 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 62.14 110.917 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.169 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 74.54 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.4 156.1 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 129.2 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.18 138.13 9.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.3 112.517 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.48 123.4 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 75.2 111.188 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -124.9 125.12 43.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.53 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.94 116.3 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.116 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 6.6 p -130.55 133.83 46.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.876 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.28 135.03 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.11 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.5 131.62 52.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.51 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 63.01 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -136.29 134.1 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.04 110.879 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -136.59 123.45 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.83 122.52 36.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.7 111.86 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.836 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 26.2 p -126.58 128.22 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.15 110.858 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -140.8 142.37 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.13 110.859 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.64 144.59 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.827 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.1 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.1 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.52 128.3 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -135.4 122.02 20.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -136.98 141.4 42.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.89 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 11.3 m -140.94 162.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.154 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -140.67 151.13 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.15 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -150.58 120.18 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 128.83 49.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.95 124.86 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.52 135.31 53.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.881 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.152 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 71.5 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.67 156.26 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.887 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.35 125.26 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.75 138.2 9.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 72.55 112.45 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.37 124.05 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 75.32 111.133 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -125.54 125.88 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.87 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.01 116.25 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.32 111.088 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 6.5 p -129.23 128.58 43.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.1 135.79 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.871 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -125.58 129.47 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.921 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.13 134.43 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 60.22 110.878 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tppm? -138.92 135.03 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.884 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -134.95 124.16 24.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.68 122.64 36.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 75.33 110.934 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.43 110.7 13.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.835 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 26.5 p -126.74 129.24 48.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -140.54 141.88 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.882 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.35 145.62 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.57 124.86 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.068 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -129.68 128.18 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -135.95 124.59 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -136.3 139.89 42.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.894 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.2 m -141.14 158.91 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.41 111.148 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -144.31 153.46 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.892 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -150.02 122.42 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.939 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.74 130.87 52.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 71.45 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 129.15 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.893 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.89 133.24 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.119 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.354 . . . . 74.41 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.56 163.2 30.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.852 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 130.21 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.22 138.38 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 75.2 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 4.3 m -132.27 135.27 46.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 75.14 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.97 115.8 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.53 121.0 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.149 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.22 134.13 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.823 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.72 135.53 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 134.27 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.887 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 65.8 m -137.53 134.5 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 65.41 110.867 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.31 131.39 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -132.82 117.0 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.1 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.55 118.82 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.11 110.927 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.57 111.51 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.829 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -130.71 127.41 38.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.43 145.24 31.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.4 110.914 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.46 154.52 49.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.29 129.66 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.51 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.82 122.28 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.918 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -130.39 121.25 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.865 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -138.06 141.22 40.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.869 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 4.5 m -143.07 154.29 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.104 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -130.39 140.2 50.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -138.99 114.46 9.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.923 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -120.75 131.42 54.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.943 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.19 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.24 132.83 53.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.837 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.168 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 74.24 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.29 163.08 30.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.828 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.68 126.39 52.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 70.22 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.09 137.74 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.49 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 4.2 m -128.56 134.64 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 73.02 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -134.26 114.3 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.41 122.2 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.135 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.31 131.33 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 72.51 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.83 138.49 37.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.911 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.57 133.37 48.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.931 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 65.5 m -135.05 134.67 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 130.62 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 70.04 110.89 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -131.5 116.81 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.81 117.86 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.933 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -127.57 110.14 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.55 110.868 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -129.55 130.36 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.841 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -145.39 144.61 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.886 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 155.15 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -142.6 130.02 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.35 111.059 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -127.72 122.27 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.935 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -130.9 122.42 26.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -136.33 142.56 43.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 70.4 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 10.2 m -142.85 150.69 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 75.12 111.152 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -133.77 140.52 47.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.41 116.21 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 62.02 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -121.19 132.11 54.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.947 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.14 125.65 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.86 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -122.99 132.46 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.123 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 31.8 m170 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.806 0.336 . . . . 65.4 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -111.28 178.56 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.53 139.37 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 70.54 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.54 138.7 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 74.51 112.482 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -128.6 140.23 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 74.43 111.151 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -135.19 113.21 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 63.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -110.96 133.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -143.35 135.53 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.848 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -142.72 136.28 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.842 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -128.29 127.85 43.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.935 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.18 134.95 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 65.31 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.31 136.36 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 73.01 110.927 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -130.26 118.77 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.48 116.06 24.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 73.24 110.903 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.07 112.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.87 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.16 127.93 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.861 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -141.06 152.81 45.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.888 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.52 145.97 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.847 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.57 123.83 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.33 122.11 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.02 110.904 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -130.75 123.44 29.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -141.5 142.3 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 9.1 m -142.67 158.72 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 75.42 111.141 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.93 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.932 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.75 114.69 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.43 133.41 55.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.924 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -128.49 124.29 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.85 133.23 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.133 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 73.35 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 83.7 p -111.68 179.94 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.1 110.883 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.72 139.86 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.11 110.94 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.76 139.53 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 63.41 112.503 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.8 t -128.41 139.19 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 71.11 111.119 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -136.75 111.04 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -114.23 131.97 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.173 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -144.21 135.07 25.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 73.14 110.877 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -141.53 135.83 30.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -127.91 127.62 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.54 134.47 39.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 54.11 110.861 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 136.11 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 73.41 110.922 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.14 118.35 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 75.31 110.898 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.43 117.56 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.954 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.87 111.29 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.901 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.78 130.51 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.871 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -140.37 153.44 46.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.44 110.844 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.77 147.63 35.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.857 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.29 123.51 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 72.35 111.108 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.84 122.35 37.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -133.9 121.72 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 64.11 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -141.08 142.31 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 74.22 110.856 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.12 156.14 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 73.3 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.69 134.28 37.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.897 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.96 116.15 14.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt -120.61 133.63 55.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.909 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.3 mmt -128.4 125.49 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.866 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.21 134.17 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.53 111.157 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.855 0.359 . . . . 75.5 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -143.72 153.47 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 54.41 110.839 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -167.31 167.55 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.886 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.52 135.09 4.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 74.52 112.457 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -124.22 125.94 45.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 73.51 111.091 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -125.27 112.1 16.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 65.33 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -126.3 148.51 49.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 74.43 111.102 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -150.85 134.57 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.852 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.01 130.12 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 75.15 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -138.89 128.64 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.94 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -138.68 140.86 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 72.42 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.97 136.87 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -136.43 132.03 34.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.7 124.52 43.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.927 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.74 125.38 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.893 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -136.32 126.11 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.903 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -129.89 138.05 50.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.926 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -128.45 122.7 31.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 71.42 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 124.55 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.102 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -131.01 124.34 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.828 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -122.98 135.81 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.858 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.65 135.11 52.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -143.9 118.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.23 111.082 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.16 135.79 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.887 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -139.99 138.21 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 75.52 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tp -134.71 129.46 34.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 75.01 110.922 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.3 154.04 46.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.895 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -164.57 172.2 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.153 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.767 0.318 . . . . 62.35 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -143.27 154.86 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.804 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.98 163.13 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 75.14 110.911 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.61 136.38 4.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 74.3 112.562 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -124.81 122.52 37.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 71.34 111.189 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.64 116.33 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.21 110.935 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.2 m -118.77 150.41 39.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.23 111.171 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -143.09 135.82 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.57 129.79 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 64.32 110.875 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -137.01 130.66 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.7 t -136.29 141.17 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.23 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.12 139.82 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.889 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -133.5 131.8 40.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 74.2 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.94 121.74 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 73.44 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.61 125.44 38.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.833 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -136.05 126.44 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 51.11 110.81 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -129.63 134.97 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 72.33 110.814 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -132.28 123.57 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.02 110.896 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.5 125.15 48.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 72.15 111.146 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -132.12 124.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -121.94 135.33 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -125.96 132.86 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.13 122.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 63.43 111.134 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.86 138.09 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -137.34 136.5 38.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 5.1 tp -135.38 128.97 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.93 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.26 151.01 48.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.882 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -164.79 171.66 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 70.24 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.161 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.826 0.346 . . . . 74.02 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.6 143.79 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 52.21 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -158.7 135.9 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.908 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 127.89 4.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 73.44 112.48 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.26 124.75 43.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 74.52 111.141 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.47 112.44 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.865 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.3 144.43 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.32 111.132 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.0 t -142.97 134.76 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.866 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.16 121.5 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.847 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -130.94 123.89 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.928 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -134.59 143.78 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 64.41 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.6 142.84 24.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.872 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.18 129.78 24.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 70.31 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.32 125.01 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 72.14 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -126.18 123.6 38.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.838 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -134.63 129.02 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.813 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.48 139.97 44.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.919 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -133.16 137.05 46.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.853 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.91 136.36 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.14 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.87 133.88 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.35 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -132.95 129.02 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.73 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.93 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.56 135.37 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.145 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.99 121.63 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.33 110.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.77 129.14 55.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 74.53 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.61 126.15 26.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.49 129.74 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.905 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -160.28 147.17 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 70.42 111.096 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.353 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.72 143.68 49.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.826 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.14 131.66 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 128.64 4.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 61.23 112.519 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -123.95 121.27 34.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 72.45 111.098 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -130.47 113.18 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.12 110.831 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.78 145.11 43.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 73.24 111.108 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 t -137.79 135.1 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.807 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.71 120.66 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.958 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -129.67 124.07 32.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.835 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -132.94 142.08 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 64.52 110.829 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.7 143.45 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.933 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -139.64 129.67 25.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.973 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mp -119.73 122.05 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.21 123.1 33.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.809 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -134.66 129.46 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.877 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.11 136.53 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 73.54 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -135.12 137.6 42.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.82 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.49 134.23 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.43 111.133 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.36 135.06 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 61.45 110.913 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -134.08 130.26 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.91 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 124.67 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.3 110.901 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 42.7 t -135.6 135.29 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 73.4 111.126 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 119.72 11.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 75.33 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . 0.405 ' CE2' ' HB2' ' L' ' 106' ' ' PHE . 0.0 OUTLIER -120.47 127.15 51.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.26 -0.427 . . . . 73.34 110.89 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -136.68 132.15 34.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 75.45 110.955 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.41 129.44 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.859 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -162.01 147.94 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.92 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 65.42 111.235 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.812 0.339 . . . . 73.53 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -137.78 147.3 44.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.856 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -167.94 134.92 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.943 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.99 126.16 5.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.766 -0.731 . . . . 70.12 112.481 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -128.97 120.04 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 74.53 111.116 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -125.54 111.93 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.849 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -120.89 141.45 50.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.03 111.06 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -134.96 135.07 41.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 72.42 110.855 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.01 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.826 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -132.56 119.13 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 63.34 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -129.44 138.51 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.805 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -144.04 142.56 30.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -138.82 131.24 28.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.05 110.871 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.3 120.95 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 75.22 110.854 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.68 122.17 39.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.879 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.84 130.39 37.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -132.69 137.32 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -133.55 136.77 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.804 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.35 134.92 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.44 111.066 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -132.96 130.7 39.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.85 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 63.11 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -131.56 131.31 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 20.8 t -137.63 125.11 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 72.23 111.094 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.52 124.69 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.03 110.95 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.04 131.26 56.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.888 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.06 122.78 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.25 110.909 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 130.9 51.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.85 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -159.48 128.95 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.124 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 73.14 110.831 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -137.39 149.48 46.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.91 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -159.15 129.71 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.67 128.57 5.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.78 -0.724 . . . . 63.31 112.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 10.6 p -123.68 118.51 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 70.25 111.192 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -127.18 112.54 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.879 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -119.04 137.9 53.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 74.35 111.141 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -133.35 135.56 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 71.54 110.857 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -140.37 121.56 14.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 64.31 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -129.94 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.96 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -127.56 136.67 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.857 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -143.41 143.24 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 63.31 110.952 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.79 125.43 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 72.33 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 122.7 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 73.5 110.949 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -124.53 122.51 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.899 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.68 128.78 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.875 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -132.21 136.1 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.837 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.77 136.96 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.852 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.16 134.55 47.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 61.43 111.06 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -133.02 132.31 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -134.87 134.65 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.7 130.57 44.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.918 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.83 123.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.12 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 121.11 18.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.34 110.942 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.43 130.4 55.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 73.42 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.67 124.24 27.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 60.22 110.851 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.47 128.81 48.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.856 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.63 130.33 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.935 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.51 111.113 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 73.11 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.92 145.06 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.833 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -165.01 139.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.927 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.88 130.79 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 64.21 112.462 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -124.38 122.63 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 71.4 111.205 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -127.73 113.31 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -125.4 146.42 49.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.32 111.094 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -141.19 135.14 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.918 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.02 126.5 25.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 73.51 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -137.26 119.89 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.906 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -132.71 130.86 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 72.4 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.33 145.73 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 72.12 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -139.96 137.39 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.897 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 128.68 44.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 75.03 110.947 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -129.34 123.31 31.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.855 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.32 123.11 27.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 70.14 110.859 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -124.37 136.85 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.21 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.97 43.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 72.22 111.079 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.33 126.97 44.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.935 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -132.25 120.24 21.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.828 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -118.89 126.88 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.866 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.12 123.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 72.15 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.13 124.55 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.22 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 131.2 56.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -131.84 117.4 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.25 110.882 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 19.1 mtm -116.01 130.51 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -164.56 132.62 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 64.53 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 74.01 111.112 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.799 0.333 . . . . 71.04 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.67 147.02 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.827 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.47 134.63 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 133.41 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.545 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 12.5 p -120.79 121.73 38.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 74.12 111.106 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -125.93 115.73 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.22 110.861 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -121.02 146.85 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.23 111.118 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -136.86 135.31 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.21 124.39 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.833 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -135.21 118.85 17.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 72.55 110.875 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -129.68 132.14 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 64.12 110.804 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.0 145.62 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.93 132.7 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -128.76 127.54 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 63.12 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -131.92 122.85 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.846 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 123.39 34.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.866 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -125.4 133.13 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.806 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.59 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 128.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 74.33 111.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -123.88 128.07 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 74.22 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -132.85 119.53 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.822 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -117.65 127.98 54.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.01 122.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.75 121.05 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.15 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -131.99 115.73 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 17.1 mtm -116.32 128.55 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 73.14 110.878 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -165.05 132.81 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 74.01 111.176 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.753 0.311 . . . . 73.51 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 32.4 p -164.66 149.67 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.44 127.12 55.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.96 137.98 9.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.76 . . . . 65.13 112.507 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 10.7 t -130.87 136.04 48.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 75.41 111.198 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -134.39 125.91 28.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 3.1 t -129.96 121.8 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.129 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 95.0 p -136.93 145.17 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 74.43 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -147.14 143.73 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 54.21 110.839 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -132.78 129.14 38.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.973 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 5.2 p -125.92 134.73 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.24 128.33 29.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 72.22 110.877 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.19 122.63 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 61.13 110.908 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.86 124.53 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.923 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.5 112.79 12.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.947 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.63 129.34 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.802 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 135.71 40.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.05 139.99 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.847 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 123.66 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.54 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.97 128.34 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -138.15 127.97 25.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -144.41 145.42 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.909 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 25.2 m -139.1 160.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.107 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.13 136.43 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.92 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -135.28 115.43 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 72.42 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -120.44 132.55 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.964 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -132.02 125.54 31.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 71.01 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.02 139.06 49.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 72.41 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.167 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 75.31 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 31.7 p -164.86 149.53 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.844 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.08 126.28 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.44 136.53 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 74.24 112.445 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 6.2 t -130.67 135.5 47.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 64.31 111.095 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -134.05 126.12 29.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.764 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.8 t -128.31 123.13 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 73.22 111.13 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 91.8 p -136.95 139.92 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.853 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -150.08 145.32 26.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.91 127.8 39.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.14 110.951 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 5.3 p -125.2 134.1 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.858 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.49 128.68 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.897 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.08 120.67 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.1 110.953 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.91 123.28 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 73.43 110.945 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.42 112.71 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.31 128.53 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.809 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 135.4 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.23 139.78 53.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.836 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.14 124.06 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 73.03 111.039 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.72 127.7 37.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -138.22 130.8 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.01 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -142.78 141.15 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.2 m -139.75 155.9 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 74.14 111.066 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.86 139.03 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.45 110.976 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -131.32 115.8 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 72.01 110.907 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -119.1 132.87 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.881 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -130.18 130.17 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.846 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.32 137.07 50.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 62.14 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.126 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 13.7 t -122.44 143.89 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.15 110.813 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.79 130.51 54.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 75.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.89 136.63 8.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 73.3 112.488 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 5.9 t -139.62 141.44 37.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 75.2 111.12 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.99 125.94 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 16.1 p -121.4 131.84 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 71.51 111.136 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 130.82 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.882 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -135.94 139.41 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.828 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -135.29 141.57 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.964 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.14 134.64 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.807 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.92 129.08 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 73.04 110.885 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.48 120.22 29.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.886 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.01 121.55 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 110.89 10.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 71.24 110.913 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -131.85 124.98 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.847 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -134.97 134.54 40.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.6 143.14 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.839 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.97 123.45 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 71.24 111.136 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -132.91 129.74 38.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -137.54 122.76 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.814 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.85 142.62 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.903 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.34 153.26 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 71.43 111.103 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.08 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 65.15 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -131.22 109.79 10.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -113.75 125.81 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 65.31 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -125.17 123.6 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.11 136.65 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 72.04 110.92 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.122 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.759 0.314 . . . . 71.5 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 13.8 t -122.19 144.18 49.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.05 110.892 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.0 125.87 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.878 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.36 135.86 7.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 72.55 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -138.25 139.76 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 75.32 111.116 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . 0.405 ' HB2' ' CE2' ' D' ' 25' ' ' TRP . 2.1 t80 -142.74 126.01 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.862 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 13.7 p -122.15 132.88 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 71.32 111.106 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.47 125.82 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 75.12 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -138.91 142.99 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.905 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -133.42 141.98 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 73.43 110.964 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.05 135.42 41.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 60.22 110.85 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.39 129.51 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.889 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -125.01 120.26 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.82 120.89 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 75.33 110.889 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.98 110.6 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -130.49 125.56 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -135.03 135.24 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.807 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.4 143.05 49.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.0 125.25 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 74.13 111.053 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -134.18 128.37 33.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -138.23 126.49 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.92 140.16 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.32 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.21 150.09 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.41 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.48 136.57 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -127.56 110.11 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 tt -114.55 125.17 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 26.1 mmt -125.82 127.85 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.44 110.905 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.07 133.91 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.19 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -133.8 163.8 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.952 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.15 127.35 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.15 138.99 10.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 75.2 112.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 17.1 m -136.11 130.09 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 75.14 111.169 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -128.49 117.76 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.858 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.95 119.24 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 132.51 43.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.904 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -136.73 142.71 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -138.17 137.47 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.13 138.11 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.41 110.873 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 133.14 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.44 110.953 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -132.92 121.79 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.956 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.52 122.53 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.909 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.22 111.61 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 121.57 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 73.43 110.909 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 139.96 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.89 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -127.47 136.86 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 75.24 110.886 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.32 122.92 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 70.51 111.114 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -132.71 126.88 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -134.98 120.57 19.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.943 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -135.99 142.74 44.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.89 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.58 149.2 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 73.4 111.122 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -124.36 131.26 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.32 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -128.64 109.21 11.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.937 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' M' ' 126' ' ' LEU . 0.3 OUTLIER -116.39 115.13 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.965 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.84 122.24 43.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.83 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -123.76 137.5 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.837 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.1 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 74.24 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -134.17 163.64 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.99 125.63 49.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.22 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.81 138.28 10.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.798 -0.715 . . . . 60.44 112.467 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 16.7 m -134.3 128.97 34.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 73.02 111.113 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -129.79 116.82 19.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 119.3 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.162 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.02 130.24 43.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.827 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.79 142.91 40.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -139.58 135.57 33.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.926 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.24 138.28 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 134.24 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 70.04 110.921 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -130.66 125.01 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 122.33 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.12 110.831 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.88 114.54 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.55 110.863 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.32 121.61 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.85 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.05 140.65 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -128.38 141.09 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.843 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.09 122.32 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.35 111.064 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.01 125.93 32.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.54 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -138.8 118.95 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -136.25 142.36 43.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.4 110.836 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.3 145.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 75.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -127.54 131.17 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.928 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -126.84 108.53 11.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.02 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.36 117.36 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.923 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -118.14 128.36 54.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.868 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.12 134.66 55.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.52 111.135 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 65.4 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.73 178.27 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.845 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.7 134.16 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.898 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.49 139.32 10.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 74.51 112.475 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.17 124.7 26.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 74.43 111.093 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -125.48 120.3 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 63.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 116.19 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 75.32 111.072 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 124.22 36.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.855 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.55 127.68 41.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 73.21 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -126.81 127.4 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.912 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.37 134.5 45.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 65.31 110.83 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -131.02 128.89 41.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 73.01 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.24 116.58 20.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.99 124.29 44.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.951 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -130.74 109.95 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -127.08 124.56 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.866 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -137.7 145.99 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.897 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.73 146.23 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.31 110.832 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.78 123.28 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.147 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 122.33 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 75.02 110.871 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -131.55 118.96 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.897 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -136.68 142.62 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.01 154.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.42 111.134 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.42 134.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 110.44 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -117.02 129.64 56.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 72.23 110.92 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.0 mmt -125.0 124.13 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.86 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.82 137.38 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 64.51 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.162 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.45 178.77 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.25 133.45 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.944 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.4 139.13 10.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.781 -0.724 . . . . 63.41 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 126.69 37.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 71.11 111.128 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -126.42 118.73 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 75.41 110.818 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.86 116.14 25.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.21 125.64 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.843 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.48 127.65 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.81 127.78 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.897 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.37 134.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 54.11 110.826 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -131.89 128.57 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -130.69 115.0 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.77 125.5 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 75.14 110.953 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.09 109.58 10.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.838 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -123.44 128.38 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.8 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -137.52 146.97 44.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.887 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 147.76 45.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.847 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.61 123.35 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.35 111.121 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.12 122.2 36.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.866 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -134.39 118.31 17.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 64.11 110.968 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -137.31 142.28 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.951 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.26 152.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 73.3 111.108 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -132.79 133.91 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.42 112.5 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.926 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.6 130.72 56.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.44 110.867 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -124.72 125.64 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.889 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.69 138.12 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 75.42 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.123 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.752 0.311 . . . . 75.5 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.06 150.66 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 54.41 110.88 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.01 135.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.965 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.53 126.27 5.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 74.52 112.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -130.47 119.23 22.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 73.51 111.106 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -123.14 112.37 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 65.33 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 142.81 46.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.188 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.6 t -134.7 134.75 41.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 61.31 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -135.34 124.01 23.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.15 110.814 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -133.41 128.17 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t -137.75 131.08 30.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.845 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -140.07 132.9 29.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.944 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -133.35 139.38 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.85 132.21 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.972 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -135.3 122.55 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.53 110.823 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -129.86 127.62 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.927 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.17 149.29 52.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 74.4 110.853 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -147.89 137.19 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.15 142.96 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.145 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.04 127.1 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.915 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -122.44 113.35 19.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -116.08 122.08 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.943 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.4 t -136.19 117.8 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.175 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -129.56 132.84 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -131.37 131.76 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 tp -127.9 137.15 52.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.9 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -133.05 130.5 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.12 110.863 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -148.54 166.09 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.791 0.329 . . . . 62.35 110.835 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -147.81 153.13 38.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.28 131.18 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 75.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 130.55 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 74.3 112.509 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 13.2 p -125.22 117.36 23.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 71.34 111.129 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -126.05 114.22 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 140.75 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.096 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -133.61 134.93 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -139.37 123.52 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.83 129.96 41.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.955 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 44.3 t -135.77 132.26 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 75.23 110.817 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -138.39 135.11 34.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 75.41 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -131.03 137.16 49.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.402 . . . . 74.2 110.936 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.84 131.69 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 73.44 110.92 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -134.64 122.66 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.833 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -128.83 127.67 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 51.11 110.848 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 147.08 52.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 72.33 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -151.13 137.12 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.02 141.59 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.131 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 128.05 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 63.23 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.67 115.56 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.803 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.68 121.07 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.51 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 63.3 t -137.12 117.97 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 63.43 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -128.62 133.98 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -130.09 130.7 45.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -129.21 136.09 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.935 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -135.5 130.6 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.53 110.876 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -147.7 165.93 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.851 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.143 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.82 0.343 . . . . 74.02 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.05 144.46 49.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 52.21 110.826 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.4 135.09 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.87 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.59 127.79 4.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 73.44 112.45 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 10.0 p -123.3 126.01 46.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 74.52 111.133 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.41 117.52 19.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 148.25 51.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.094 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -143.42 135.41 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.889 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.33 124.14 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.806 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -136.63 125.34 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.942 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -130.08 135.81 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.868 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.95 129.91 38.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -129.04 125.32 37.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.99 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -123.21 120.85 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 72.14 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -126.11 123.03 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 72.3 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -127.84 121.53 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.875 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -124.16 135.45 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.53 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 138.38 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.911 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 142.09 50.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.106 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -141.88 134.79 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.97 134.86 40.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -132.28 127.24 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.91 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.54 118.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -129.13 123.81 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -118.47 131.57 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.65 134.05 53.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.944 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -131.18 131.7 44.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.87 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.08 131.41 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.857 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 91.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 70.42 111.164 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.767 0.318 . . . . 75.44 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.78 145.38 48.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.872 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.86 130.74 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.951 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.07 4.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 61.23 112.47 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 13.7 p -121.57 124.14 43.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 72.45 111.17 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.9 120.82 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.862 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.37 147.51 46.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.15 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -138.3 134.76 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.795 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.28 122.02 13.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.34 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -135.51 124.41 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.888 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 37.1 t -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 64.52 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.08 131.23 42.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -126.15 121.01 31.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 74.31 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -122.75 120.28 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.905 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.81 122.88 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -126.16 121.07 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.832 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -125.52 134.73 51.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 73.54 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 139.27 45.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.855 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.87 142.11 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.142 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.3 135.62 32.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 61.45 110.884 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.38 135.9 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -130.54 126.88 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.805 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -139.4 117.9 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.171 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -131.02 120.1 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 21.4 t-105 -119.88 129.14 54.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.878 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.87 135.23 51.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.965 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -133.04 129.24 37.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.882 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.19 131.23 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 65.42 111.172 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 73.53 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -146.59 156.81 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.914 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.15 167.02 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.877 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.23 127.87 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 70.12 112.534 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 29.8 p -125.62 118.82 26.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 74.53 111.159 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -125.46 112.3 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 75.24 110.903 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.49 146.91 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.03 111.14 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.7 t -140.87 135.1 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.834 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.03 120.54 18.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 72.35 110.797 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -129.87 121.36 26.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.937 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -131.8 140.11 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 75.3 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.68 140.82 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -132.48 136.64 46.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.05 110.898 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.89 117.96 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.964 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -118.31 122.4 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.23 110.845 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 10.3 m -132.75 123.52 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.823 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -129.31 143.28 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.855 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 136.12 40.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.61 135.49 53.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.44 111.114 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.81 124.6 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.921 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.45 118.11 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 63.11 110.87 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.69 124.8 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 t -137.05 119.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.02 136.77 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.0 p-90 -140.32 142.98 35.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 73.44 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.41 129.58 52.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.956 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -123.15 131.95 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.884 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.65 147.48 8.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.84 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.13 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 73.14 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -146.49 157.94 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.855 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.27 161.63 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 128.49 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 63.31 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -122.4 118.5 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 70.25 111.137 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.94 114.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.87 146.09 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 74.35 111.133 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -138.37 135.51 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.884 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.55 118.6 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.882 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.14 120.38 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 75.13 110.961 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 46.9 t -130.39 138.72 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 64.23 110.839 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.08 140.95 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 63.31 110.918 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -132.29 134.08 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.878 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 115.87 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 73.5 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.76 122.44 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 10.4 m -132.27 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.805 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.27 141.73 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 75.32 110.896 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.43 136.34 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.831 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.47 135.55 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.43 111.08 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.21 125.83 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.89 119.82 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 73.12 110.823 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.46 124.54 52.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.926 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.73 121.39 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.15 111.153 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -152.34 133.88 14.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.908 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -137.83 139.82 40.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.12 128.12 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 60.22 110.913 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -123.04 129.51 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.881 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -165.74 147.56 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.51 111.065 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 73.11 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.24 149.03 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.895 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.22 140.82 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.91 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.45 129.45 5.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 64.21 112.4 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -122.09 121.65 37.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.801 0.334 . . . . 71.4 111.215 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -126.24 113.25 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.863 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.77 145.81 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -139.45 135.64 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.821 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.77 118.23 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.859 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -131.49 123.8 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.952 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 150.21 51.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -155.24 145.95 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 72.12 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . 0.404 ' HB3' ' HD3' ' O' ' 118' ' ' ARG . 46.5 t80 -144.55 141.12 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mp -127.07 128.1 45.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 75.03 110.915 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -125.39 122.92 38.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 24.0 p -134.5 138.09 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.816 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -141.51 134.44 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 126.64 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.92 141.3 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.22 111.067 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -140.69 123.86 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -128.19 136.44 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.88 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.92 136.44 48.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 75.2 110.88 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -146.23 117.71 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.16 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.13 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -141.26 143.96 34.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.94 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.02 128.52 52.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 74.25 110.921 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -121.11 130.16 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.896 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.47 177.08 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 64.53 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.01 111.157 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 71.04 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.03 148.5 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 73.54 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 135.19 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.967 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 128.55 4.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 64.03 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.1 p -120.56 120.05 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 74.12 111.115 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -124.95 114.89 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.19 145.48 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.187 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -136.04 135.11 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 72.04 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.43 115.22 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.864 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.49 124.57 32.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.55 110.906 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -131.59 148.78 52.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 64.12 110.797 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -151.26 147.07 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 72.2 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -143.63 136.29 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 71.43 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mp -127.74 126.27 41.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 63.12 110.914 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -128.7 122.63 31.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.931 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 24.2 p -131.28 137.2 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.851 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.38 130.09 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.28 124.96 29.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.828 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.32 140.62 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.152 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -138.37 123.91 19.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.8 138.6 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.904 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.07 136.71 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.931 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -145.9 117.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 73.14 111.114 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.67 136.16 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 3.5 p-90 -146.84 138.69 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 71.52 110.909 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -120.16 127.58 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.07 128.54 49.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.856 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.13 177.55 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.01 111.115 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 39.0 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 73.51 110.8 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.6 p -164.22 144.17 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 72.01 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.33 127.4 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.35 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.36 138.74 10.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 65.13 112.476 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 14.5 m -133.61 123.53 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 75.41 111.153 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -122.83 115.91 22.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.888 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.8 m -117.21 119.78 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.02 127.72 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.817 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.98 130.55 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 54.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -127.09 129.09 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.905 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -119.58 134.68 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 74.22 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 128.04 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 72.22 110.913 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -133.18 125.05 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 61.13 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.08 134.29 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.924 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.02 118.58 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.866 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -126.49 138.72 53.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 73.32 110.803 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.82 140.09 36.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 74.12 110.894 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 128.49 43.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.825 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.5 123.55 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.54 111.133 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -135.13 128.25 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 72.33 110.928 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -138.05 127.8 25.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.816 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.22 146.94 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 74.35 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.63 156.13 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.098 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.76 129.39 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 74.31 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -125.47 109.33 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 74.51 110.912 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.31 122.02 41.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 71.01 110.871 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 137.13 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 72.41 110.829 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.197 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 39.1 m170 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.794 0.331 . . . . 75.31 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.8 p -164.22 144.23 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 53.43 110.836 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.01 125.75 51.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.64 137.97 9.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.783 -0.722 . . . . 74.24 112.49 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 15.2 m -132.05 123.96 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 64.31 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -123.07 116.04 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.889 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 86.6 m -116.23 119.3 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.11 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.41 124.74 34.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 71.43 110.794 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.7 134.74 33.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.846 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -125.06 127.72 47.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.921 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 18.4 m -119.57 136.58 54.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 64.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.94 128.52 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.904 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -127.99 126.56 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.964 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.47 131.26 31.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.876 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.65 118.46 11.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.824 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -128.58 137.67 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 70.1 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.96 138.57 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.825 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.63 129.52 40.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.48 125.75 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.066 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -134.27 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.868 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -138.03 130.05 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.859 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.05 144.2 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.806 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 12.8 m -142.98 153.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 74.14 111.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -135.2 130.31 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.76 109.24 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.51 116.31 27.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.897 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.97 126.99 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.911 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.54 134.32 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 62.14 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.054 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 74.54 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.22 167.95 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.15 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.5 128.16 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.95 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.26 138.72 10.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 73.3 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 6.9 m -131.81 121.29 23.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 75.2 111.146 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -117.88 110.97 18.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.88 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -112.81 117.82 33.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.51 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.54 130.52 47.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 73.21 110.848 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.6 141.86 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 71.11 110.874 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -135.1 142.33 46.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.923 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -141.02 138.31 33.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 63.01 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 137.68 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.04 110.88 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -136.06 117.71 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.24 110.967 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.28 115.91 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 74.42 110.953 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.17 111.27 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 71.24 110.816 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 121.72 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.15 110.868 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.4 135.81 40.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.871 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -132.75 144.31 50.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.85 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.4 123.97 18.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -122.94 121.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.842 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -129.09 118.6 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -140.26 142.45 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -141.99 157.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 71.43 111.08 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -132.81 140.38 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 65.15 110.914 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.95 114.18 8.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -120.9 128.76 53.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.233 -0.44 . . . . 65.31 110.962 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.8 124.96 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -127.85 139.31 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.04 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.162 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m170 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 71.5 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.61 168.57 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 72.05 110.849 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.72 126.24 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 71.23 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.43 135.68 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 72.55 112.485 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 5.9 m -130.28 120.24 24.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 75.32 111.137 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -118.51 110.74 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -111.2 117.46 33.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.123 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.94 126.54 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.12 143.43 38.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -134.56 141.32 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.9 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 6.3 t -140.06 138.91 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 60.22 110.826 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 138.06 37.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.897 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -134.36 118.38 17.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.953 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.24 115.87 23.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.945 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.33 109.73 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.87 123.89 45.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.916 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -133.75 136.32 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -133.48 146.68 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 73.35 110.891 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.39 123.91 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -123.95 123.27 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -130.65 122.33 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.51 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -138.84 140.55 38.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 71.32 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.09 154.92 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.41 111.122 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -136.2 140.92 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.954 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -138.01 117.4 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 6.8 tt -120.01 129.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 71.45 110.911 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.74 128.42 47.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.793 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -124.69 137.33 54.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.822 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.14 111.14 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.331 . . . . 74.41 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.8 160.0 36.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.896 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.48 128.71 56.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.922 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.72 138.74 10.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 75.2 112.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 10.3 t -127.54 128.92 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 75.14 111.165 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . 0.44 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 20.4 t80 -121.62 119.33 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.919 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 7.5 p -127.1 119.25 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 71.44 111.13 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 31.2 t -137.69 134.86 35.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.844 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.25 128.93 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -121.85 138.36 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.866 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 76.7 p -141.5 137.87 32.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 65.41 110.83 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.3 141.34 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 75.44 110.879 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -134.65 124.08 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.82 125.14 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.887 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.23 110.56 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.905 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -127.27 126.46 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.817 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.01 138.11 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 74.4 110.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.76 135.39 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.892 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.52 123.1 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 70.51 111.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.6 126.27 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -134.61 121.52 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -136.73 141.67 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.92 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.83 156.79 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.184 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -133.85 134.5 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 109.95 8.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -116.24 134.18 55.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.907 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.51 125.69 34.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.832 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.52 140.38 53.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 75.02 110.933 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.077 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 25.4 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.831 0.348 . . . . 74.24 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.57 160.59 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.886 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.67 127.04 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.934 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.35 136.53 8.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.719 . . . . 60.44 112.455 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 12.1 t -131.26 129.13 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 73.02 111.159 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -122.73 121.91 37.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 11.1 p -120.15 121.62 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.34 111.181 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t -138.3 129.59 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.53 130.26 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -121.3 136.06 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.906 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 76.6 p -142.15 138.1 31.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 141.79 44.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.851 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -133.13 124.11 26.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.4 125.17 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.958 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.56 110.02 9.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.912 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 p -125.93 129.58 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.811 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.41 136.1 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.51 137.23 54.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.847 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.71 123.63 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.091 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -130.72 126.98 37.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.54 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -137.47 122.02 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.797 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -136.1 143.34 44.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.4 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.73 152.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.138 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -136.95 135.32 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.873 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.12 112.07 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.02 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -114.21 133.69 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 73.2 110.977 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -133.46 129.51 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.849 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.5 138.86 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.892 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 71.52 111.211 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 43.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.778 0.323 . . . . 65.4 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 12.4 p -156.35 153.57 29.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.841 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.13 129.92 48.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 70.54 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' G' ' 27' ' ' MET . . . -144.02 138.63 8.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 74.51 112.469 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.6 129.43 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 74.43 111.128 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -121.42 127.69 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 63.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -139.37 122.91 17.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.146 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -143.89 146.75 33.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.951 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.81 157.43 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.877 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -146.13 127.95 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 70.44 110.965 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.41 137.58 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 65.31 110.846 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -128.32 128.71 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 73.01 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.55 115.78 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.951 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.39 131.78 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.967 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -143.39 114.3 7.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.911 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 58.1 p -136.87 127.02 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 71.31 110.837 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -135.3 146.27 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . 0.404 ' HD3' ' HB3' ' G' ' 13' ' ' TYR . 0.1 OUTLIER -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.35 124.85 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.64 125.82 44.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 75.02 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.71 120.41 23.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -140.79 144.39 35.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.851 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 12.3 m -142.58 156.12 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.42 111.186 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -131.66 136.06 47.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -137.97 113.81 9.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 73.3 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 10.5 tt -117.98 131.88 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.903 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -126.76 124.2 39.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.941 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.49 131.36 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 64.51 110.883 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.1 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 44.2 m170 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.8 0.333 . . . . 73.35 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 12.5 p -156.9 154.76 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.877 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.48 129.72 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.75 138.0 7.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 63.41 112.512 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -128.13 129.1 46.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 71.11 111.192 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -120.75 129.82 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.868 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -138.71 123.32 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 73.41 111.219 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -144.76 147.09 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.897 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.05 158.76 43.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.87 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -146.17 127.55 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.937 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.44 134.81 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.11 110.766 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -129.33 128.13 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.902 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.38 115.27 20.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.926 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.93 134.26 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.909 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -144.14 113.84 7.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.819 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -134.02 131.06 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.24 110.849 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -134.6 148.83 50.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 72.44 110.849 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 150.89 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.838 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.08 123.94 12.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 72.35 111.173 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.64 124.27 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.957 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -135.63 118.87 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 64.11 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 74.22 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.97 153.51 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.3 111.152 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -134.15 134.04 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.924 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.83 114.68 11.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.871 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 tt -118.62 132.24 56.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 63.44 110.917 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -128.27 125.49 38.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.841 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -122.42 133.89 54.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.901 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 74.53 111.174 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.704 0.287 . . . . 75.5 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -145.3 153.36 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 54.41 110.914 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.57 156.79 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.901 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.23 128.39 2.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.516 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -126.15 138.2 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 73.51 111.135 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.07 111.39 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.33 110.876 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.1 142.74 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.161 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -140.38 134.64 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 61.31 110.873 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.65 125.37 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 75.15 110.928 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.29 122.55 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.91 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.51 130.87 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 72.42 110.86 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 124.46 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 75.4 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 132.93 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.829 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.13 118.73 28.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 75.41 110.91 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.43 122.62 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.864 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.75 148.39 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -146.41 148.96 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 74.4 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -141.28 124.26 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.955 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.68 139.55 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 71.02 111.148 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.03 123.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.917 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -119.59 127.39 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.822 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.6 t -144.89 117.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.23 111.206 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.09 138.92 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.913 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -140.89 137.06 32.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 75.52 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tp -133.81 130.21 37.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.907 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -121.64 138.42 54.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.842 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.41 176.81 10.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.15 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 62.35 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -144.95 153.6 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.868 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.7 152.21 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 130.87 2.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 74.3 112.505 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -126.08 136.73 53.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.883 0.373 . . . . 71.34 111.126 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.91 115.7 9.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.836 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.64 144.2 47.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 74.23 111.128 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -137.6 135.45 36.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.83 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -134.99 126.69 29.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.39 125.29 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.935 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.07 132.24 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 75.23 110.889 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 129.68 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.925 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.31 131.54 53.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.19 116.57 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.892 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.29 122.99 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.857 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.5 146.83 46.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 51.11 110.934 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.54 146.05 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -145.04 124.5 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 139.18 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 72.15 111.114 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.87 124.11 19.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.23 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.43 128.85 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.12 128.41 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -144.14 122.79 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 63.43 111.134 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -138.01 139.75 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.921 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -134.35 131.27 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -122.62 137.55 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.53 110.871 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.68 176.37 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.852 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.14 111.178 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 74.02 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.2 p -151.36 158.83 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 52.21 110.873 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -165.74 145.44 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 73.34 110.843 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.13 129.42 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 73.44 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -124.05 118.32 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 74.52 111.068 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.27 116.08 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.896 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -123.07 143.48 49.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.32 111.143 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -138.39 135.05 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.814 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.73 122.27 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -133.77 129.28 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.939 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -131.5 142.05 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.903 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -138.82 138.42 37.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.883 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -140.42 130.72 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 70.31 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.98 131.07 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -137.35 122.82 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.822 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.29 124.23 33.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.858 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.77 135.47 54.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.53 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -131.67 129.19 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.856 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 132.32 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.32 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.99 123.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 74.35 110.945 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -126.63 124.15 39.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.98 123.61 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.928 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.28 131.64 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 73.31 111.181 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -135.92 121.33 19.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -117.8 128.99 55.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.45 131.61 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.55 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.4 130.69 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.898 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.16 176.98 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 70.42 111.12 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 75.44 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -151.26 159.07 44.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.816 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -162.87 142.88 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 131.61 5.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 61.23 112.568 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -121.18 118.42 29.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 72.45 111.143 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.71 115.94 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.834 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -119.22 141.71 48.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 73.24 111.143 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -135.87 134.66 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.822 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.47 120.93 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -133.84 130.44 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -129.22 142.37 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.832 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -137.56 139.39 40.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.959 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -139.65 131.34 27.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.932 0.396 . . . . 74.31 110.91 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp -133.18 129.42 37.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.845 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.19 122.86 18.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.2 123.28 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.843 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -122.1 132.86 54.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -134.78 128.85 33.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.82 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.26 133.46 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.072 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 124.36 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 61.45 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -124.25 127.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.58 123.71 41.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 72.3 110.874 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.18 129.73 60.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.4 111.152 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -138.6 120.21 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -117.71 129.83 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.09 134.69 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 75.45 110.989 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 130.18 22.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.77 177.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 65.42 111.095 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 73.53 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.78 152.74 42.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.53 110.88 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.62 163.36 35.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.923 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 131.52 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 70.12 112.572 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -120.21 135.45 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 74.53 111.19 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.7 111.71 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.882 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.48 141.15 51.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.03 111.117 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -141.42 134.64 29.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.841 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.59 119.57 14.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 72.35 110.851 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -131.98 120.82 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.977 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -124.66 141.92 51.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.3 110.891 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.85 138.92 30.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -142.84 124.34 14.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.92 121.21 35.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.22 110.929 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -123.97 124.66 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 64.23 110.879 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -132.69 122.54 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 137.5 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.13 110.83 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -131.28 140.65 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.26 137.46 48.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.09 126.52 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.52 130.59 45.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 63.11 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.9 125.77 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 23.7 t -132.05 120.43 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.23 111.15 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -128.73 122.52 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.856 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 131.51 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.949 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 126.01 31.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.912 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.96 135.26 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.906 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.83 176.74 9.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.155 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 73.14 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -142.56 153.0 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -156.0 157.6 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 72.44 110.864 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 132.82 3.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.464 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -122.56 133.64 54.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 70.25 111.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -137.81 115.28 11.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 143.91 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 74.35 111.127 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -135.38 134.87 40.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.914 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.98 119.16 12.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.31 110.882 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.24 118.95 21.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -125.92 140.44 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.888 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -140.86 141.78 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 63.31 110.868 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -140.11 122.72 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 72.33 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.93 120.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 73.5 110.861 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -125.11 125.15 43.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.797 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 124.15 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.836 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.69 132.36 53.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 75.32 110.864 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -132.93 138.76 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.87 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.34 138.4 47.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 61.43 111.079 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -136.39 128.35 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.92 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -127.6 133.92 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 73.12 110.86 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -123.47 126.41 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.902 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 29.9 t -133.14 118.29 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.15 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -132.14 118.46 19.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 130.47 56.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.868 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.69 126.52 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 60.22 110.909 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.08 129.35 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.877 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -164.7 177.45 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 73.15 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.51 111.225 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.795 0.331 . . . . 73.11 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.72 157.55 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.822 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.85 137.29 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 73.14 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.56 128.55 6.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 64.21 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 14.8 p -123.18 117.25 24.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 71.4 111.114 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -128.35 119.36 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.942 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.34 124.28 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -118.41 134.94 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.833 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 121.13 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.85 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.6 127.86 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.948 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -135.7 142.4 45.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.33 144.32 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -134.39 138.82 45.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.92 118.0 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 75.03 110.938 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -121.9 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.847 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.94 119.72 26.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 70.14 110.835 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 134.51 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.859 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -134.76 136.65 42.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.826 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.31 135.34 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 111.086 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -138.19 123.88 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -130.17 129.59 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.99 136.66 53.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 75.2 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 t -140.84 134.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.113 -0.494 . . . . 72.15 111.061 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -144.45 117.75 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 52.22 110.843 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -117.2 129.8 56.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.971 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . 0.427 HD21 ' HB ' ' O' ' 105' ' ' THR . 2.4 tm? -135.13 129.2 33.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.88 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.26 131.25 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 72.01 110.91 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -164.75 149.8 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 74.01 111.177 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.837 0.351 . . . . 71.04 110.806 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.3 155.41 42.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.54 110.841 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.94 134.06 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.862 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 130.19 6.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.656 -0.783 . . . . 64.03 112.445 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -121.82 118.97 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 74.12 111.132 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -127.58 121.62 31.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 63.22 110.906 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 127.65 46.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.117 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -117.94 134.74 54.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.882 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.46 118.56 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.05 110.965 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -129.72 128.15 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.898 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -136.02 140.78 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 64.12 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.38 142.93 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.878 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -136.4 136.29 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.68 119.89 25.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 63.12 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -123.37 122.74 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.907 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 119.63 27.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 72.13 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 132.89 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 75.53 110.926 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -133.97 137.42 44.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 72.22 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.85 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 74.33 111.143 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -135.86 126.53 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.857 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -128.67 130.58 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.825 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.89 138.31 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.875 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -144.23 132.91 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 73.14 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -144.1 116.99 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -119.32 129.28 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.3 133.34 42.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.74 130.43 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.14 110.93 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -164.62 151.06 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 72.24 110.911 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.125 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 73.51 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 6.9 t -76.96 157.08 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.813 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.54 127.15 10.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 75.35 110.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.63 137.02 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 65.13 112.465 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 4.7 t -127.68 128.06 44.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 75.41 111.21 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -127.09 124.22 38.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 125.27 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.171 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -132.04 136.49 47.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.864 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.63 140.81 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 54.21 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -134.14 127.83 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -120.6 134.67 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.805 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.6 128.53 35.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 72.22 110.82 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -129.56 127.59 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 61.13 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.33 133.02 50.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.908 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.07 109.51 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.42 110.841 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.21 130.31 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 73.32 110.873 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 141.43 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.853 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 131.9 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 75.53 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.71 123.38 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.54 111.148 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.83 125.36 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 72.33 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -134.95 126.76 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.27 143.99 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.911 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 m -140.01 156.8 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.5 111.155 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.96 134.02 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.31 110.963 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -131.43 126.67 35.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 72.42 110.855 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 7.4 tt -124.15 132.28 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.887 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 2.0 mmt -128.29 125.09 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.927 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . 0.413 HD21 ' N ' ' I' ' 129' ' ' THR . 0.1 OUTLIER -131.1 137.91 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.884 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 129' ' ' THR . . . . . 0.413 ' N ' HD21 ' I' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 64.44 111.194 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 75.31 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.0 t -76.94 157.42 31.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 53.43 110.89 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.22 126.71 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.908 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.49 137.2 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 74.24 112.548 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -128.42 128.75 45.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 64.31 111.115 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -127.52 123.12 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -122.8 124.07 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.109 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -135.19 132.42 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.447 . . . . 71.43 110.84 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.16 141.73 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.907 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -134.09 127.2 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.945 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 37.1 t -120.62 135.77 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 64.41 110.827 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 128.32 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 129.77 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.53 134.0 48.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.949 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.2 110.54 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.848 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.56 124.91 35.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 70.1 110.884 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.25 142.52 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.79 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 134.1 45.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.822 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.65 123.85 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.03 111.083 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.0 125.87 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.848 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.78 128.93 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -141.79 143.54 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.45 154.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 135.85 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 72.45 110.908 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -126.24 126.49 44.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 72.01 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 7.2 tt -124.72 129.76 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.837 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 1.9 mmt -129.77 128.16 41.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.813 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.48 136.39 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 62.14 110.825 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.172 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -160.62 162.83 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.15 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 128.01 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.835 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.82 137.67 8.85 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.686 -0.769 . . . . 73.3 112.449 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 24.2 m -133.93 144.66 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 75.2 111.135 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -140.85 112.08 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 118.39 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.51 111.151 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.07 125.21 34.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.893 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -134.44 132.35 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.937 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -129.03 133.72 47.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.968 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -131.76 133.97 45.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 63.01 110.893 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 130.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.881 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.53 115.03 16.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 72.24 110.93 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.59 124.27 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.919 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -128.31 109.72 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.87 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -123.74 122.55 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.15 110.888 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.0 137.63 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 152.35 49.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.87 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.32 134.67 20.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 71.24 111.13 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.52 121.94 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 73.03 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -127.1 117.36 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -137.65 141.39 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.54 110.869 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -144.28 156.37 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 71.43 111.107 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -136.0 139.88 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.15 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -135.35 116.74 14.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.55 127.45 53.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 65.31 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.11 125.08 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.0 110.904 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.53 130.62 52.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.129 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 71.5 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -159.77 162.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.05 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.02 126.25 13.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.921 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.33 136.74 8.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.845 -0.693 . . . . 72.55 112.526 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 24.0 m -134.55 137.5 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 75.32 111.115 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -135.29 112.37 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.87 115.84 29.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 71.32 111.123 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.21 124.31 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.867 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.73 135.46 38.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.15 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -126.11 132.96 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.913 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -130.97 134.41 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 60.22 110.816 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.46 130.73 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.853 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -129.49 115.22 17.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.894 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.67 124.16 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -126.11 109.42 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.897 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 6.8 p -123.81 123.37 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.841 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.18 143.02 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 72.34 110.85 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 152.05 46.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.26 136.35 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.13 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -130.93 122.35 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -126.95 119.36 26.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.808 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -138.35 140.13 39.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.835 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 6.9 m -144.02 155.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 73.41 111.169 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.5 140.83 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -133.72 120.01 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.41 127.43 53.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 71.45 110.935 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 128.79 50.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.908 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.34 129.21 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.33 110.869 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 73.14 111.171 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 74.41 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 27.3 p -163.18 142.11 8.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.82 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.09 128.88 55.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.41 110.878 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.72 138.46 9.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 75.2 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -135.05 133.27 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 75.14 111.166 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.47 124.33 35.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.799 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 118.93 32.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 71.44 111.186 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -128.6 130.32 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -132.05 140.07 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.34 110.865 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.41 127.82 38.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.966 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.85 134.17 48.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.41 110.878 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 129.98 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.44 110.908 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -128.16 114.98 17.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.921 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.32 121.18 38.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.886 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -130.16 110.1 11.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.856 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -127.2 122.18 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -135.54 138.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.944 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 146.95 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.46 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.51 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.33 124.14 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.25 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -128.18 121.1 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.804 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -140.84 142.99 34.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.926 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 12.3 m -140.78 156.46 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.4 111.142 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.47 136.51 45.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -129.47 133.56 47.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 73.3 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 6.6 tt -131.97 133.89 45.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.895 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 9.4 mmt -132.07 125.0 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.818 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.84 140.34 51.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.144 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 74.24 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 26.7 p -162.87 141.38 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.873 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 125.22 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.95 136.45 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 60.44 112.454 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 5.3 t -132.86 136.66 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 73.02 111.184 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -127.93 122.95 33.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.856 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 117.78 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.076 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -127.91 128.28 44.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -130.81 140.65 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.9 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.16 126.95 36.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 75.11 110.927 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 134.3 46.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.851 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 129.94 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 70.04 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -127.97 114.86 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 74.23 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.39 121.46 39.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 75.12 110.946 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -130.71 108.69 10.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 72.55 110.912 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -126.21 124.89 41.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 74.33 110.891 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -134.82 135.64 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.865 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 148.47 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.23 135.06 23.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.35 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.6 123.18 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.49 123.35 33.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 74.51 110.919 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -137.5 141.03 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 70.4 110.871 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.67 154.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.06 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.66 134.48 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.912 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.69 133.28 49.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 62.02 110.973 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 tt -132.24 132.1 42.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 73.2 110.885 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 9.5 mmt -130.52 127.67 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.22 110.848 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.17 138.87 52.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.955 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.52 111.125 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 65.4 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -80.37 138.89 36.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.92 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.38 136.54 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 70.54 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.47 140.49 9.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.711 . . . . 74.51 112.5 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 105' ' ' THR . . . . . 0.427 ' HB ' HD21 ' G' ' 26' ' ' LEU . 9.8 t -136.42 128.44 29.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 74.43 111.16 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.12 119.51 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 63.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.1 p -113.34 138.41 50.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -146.65 136.05 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -141.1 140.91 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.918 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.79 127.33 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 70.44 110.919 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -130.86 137.1 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 65.31 110.801 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.35 132.9 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 73.01 110.913 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -130.72 121.79 26.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.887 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.21 115.62 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 73.24 110.897 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.2 113.12 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.896 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.41 121.55 39.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 71.31 110.873 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.98 124.44 39.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.878 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -124.31 133.42 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.3 125.64 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.106 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.6 126.59 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.75 136.0 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -145.58 141.74 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.885 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 5.5 m -145.5 144.31 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.125 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -125.43 136.5 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -137.23 120.97 17.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 73.3 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 tt -127.33 132.42 50.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.958 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.64 124.09 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.894 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.33 135.59 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 64.51 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.146 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.823 0.344 . . . . 73.35 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.11 138.94 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -123.23 136.19 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.66 139.44 8.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 63.41 112.471 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -132.61 132.22 42.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 71.11 111.125 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -127.04 116.1 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 p -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 73.41 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -145.69 136.89 24.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -138.89 142.5 38.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 74.14 110.847 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -137.85 127.46 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -132.19 136.08 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.11 110.818 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.37 133.12 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.41 110.878 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -131.63 121.53 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.66 118.38 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.14 110.944 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.51 111.64 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 65.34 110.889 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.8 122.23 40.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.858 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 123.14 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 72.44 110.89 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -117.92 137.22 52.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.834 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.62 123.9 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.066 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.32 127.81 26.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.43 134.4 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 64.11 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -143.62 142.59 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 11.6 m -145.86 143.43 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.3 111.04 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.8 136.42 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.841 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -137.13 121.71 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.53 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.41 133.45 49.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 63.44 110.959 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.3 125.58 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.824 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 74.53 111.161 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.848 0.356 . . . . 75.5 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.78 157.19 40.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 54.41 110.897 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.35 135.61 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.879 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.64 139.35 10.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 74.52 112.493 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -130.76 117.71 19.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 73.51 111.154 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -124.84 121.74 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.33 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -134.64 149.58 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.151 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.7 m -140.86 135.35 31.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 61.31 110.803 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.64 122.16 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.15 110.828 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.79 126.72 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.41 110.901 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.31 132.56 51.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 72.42 110.843 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 122.79 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 75.4 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.69 135.92 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.913 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 115.65 22.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.943 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.36 123.21 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.96 140.53 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.891 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.63 126.18 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.928 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -125.25 120.74 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.52 142.67 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.02 111.098 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.83 125.03 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 75.11 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.19 138.64 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.53 139.39 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.863 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.73 123.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 74.23 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.24 136.7 45.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 74.12 110.858 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -141.84 132.72 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 75.52 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.32 147.3 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.01 110.919 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 146.11 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 75.12 110.922 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.52 175.75 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.208 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.864 0.364 . . . . 62.35 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.86 157.15 40.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.812 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.43 133.7 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 75.14 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.04 140.58 11.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 74.3 112.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -129.93 117.84 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 71.34 111.093 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -125.74 125.03 42.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -129.43 150.44 50.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 74.23 111.108 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -138.15 135.2 35.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.872 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.92 122.05 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.83 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.17 124.95 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 134.12 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 75.23 110.865 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 128.16 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 75.41 110.931 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.96 134.34 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 74.2 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 112.76 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.957 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.62 122.24 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.844 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.79 139.16 41.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 51.11 110.873 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.38 122.08 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.876 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -128.01 123.46 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.19 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.15 111.05 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.66 124.08 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.37 140.76 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 141.18 46.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.821 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -143.8 127.11 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 63.43 111.127 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.99 140.18 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.954 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -138.4 135.2 35.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -133.09 147.2 52.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 75.51 110.939 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 146.55 39.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 73.53 110.87 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.24 177.04 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.24 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.154 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 74.02 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.46 151.2 44.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.21 110.849 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.61 131.03 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.64 144.95 17.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 73.44 112.522 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -129.25 143.53 50.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 74.52 111.173 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.44 119.62 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 75.11 110.835 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.77 138.71 53.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.096 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.55 134.03 42.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 64.24 110.858 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -134.99 132.59 38.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 72.12 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.3 123.31 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.969 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 134.63 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.41 110.868 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.71 123.16 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.979 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 125.88 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 70.31 110.898 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.51 117.55 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.14 110.938 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -121.57 122.29 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 142.83 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.828 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.74 130.82 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 74.53 110.812 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -127.25 128.43 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 74.3 110.95 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.64 139.07 53.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 70.32 111.128 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -140.44 123.84 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.863 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.7 136.38 53.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.837 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -127.71 129.36 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -140.17 123.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 73.31 111.112 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -153.84 136.86 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.892 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.474 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 2.2 p-90 -137.16 140.65 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.915 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 131.98 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.936 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -126.75 132.46 51.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.899 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.33 177.01 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 70.42 111.128 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.44 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.44 150.54 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.857 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.0 129.03 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.46 140.15 10.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 61.23 112.458 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -133.34 140.35 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 72.45 111.159 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -142.73 122.37 13.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.5 139.03 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 73.24 111.078 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.33 134.82 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.836 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -137.92 133.56 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 75.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -138.19 123.42 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.937 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 135.01 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.52 110.892 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 125.11 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.93 125.44 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.964 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.76 116.96 30.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.964 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -121.39 122.19 39.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.837 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.47 141.44 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.897 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.14 129.03 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 73.54 110.801 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -129.48 129.29 44.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.834 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.71 138.41 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.43 111.133 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.19 123.79 15.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 61.45 110.924 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.4 138.59 54.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -127.19 129.29 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 17.7 t -140.84 126.25 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.4 111.153 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -155.14 132.63 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 2.1 p-90 -138.11 138.94 39.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -122.9 131.31 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.847 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -127.14 128.65 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.902 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.86 177.26 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.898 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 65.42 111.166 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.846 0.355 . . . . 73.53 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -159.9 162.82 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.841 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -158.46 157.88 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.87 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.75 128.5 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 70.12 112.49 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -120.3 131.34 54.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 74.53 111.159 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -136.05 120.36 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 144.8 50.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 72.03 111.115 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t -141.26 134.8 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.838 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.33 121.86 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.26 122.03 25.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.34 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.09 141.46 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.849 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.86 123.99 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.25 124.46 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.05 110.852 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.01 114.68 26.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.909 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.83 122.64 44.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 64.23 110.847 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -134.46 150.35 50.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -144.52 141.7 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.929 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 132.79 39.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.838 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.62 139.36 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.44 111.131 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.94 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.88 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -138.24 126.14 22.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 63.11 110.88 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.65 126.06 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.853 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.79 132.15 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.23 111.14 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -139.75 118.38 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -120.21 131.13 54.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -125.19 132.74 52.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.908 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 3.4 ptp -130.33 133.26 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.886 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -162.91 173.32 13.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.879 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.175 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.14 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -159.49 162.38 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.857 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -156.75 156.0 32.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.44 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 131.34 3.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 63.31 112.46 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -118.3 130.88 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 70.25 111.125 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.05 124.84 23.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.41 143.41 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.151 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -135.71 135.14 39.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.829 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 120.81 12.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 64.31 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -130.1 123.58 30.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.44 138.03 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.833 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.82 123.73 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 63.31 110.899 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.17 125.2 36.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.55 111.87 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 73.5 110.962 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.37 121.96 40.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.912 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -135.54 145.85 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 74.23 110.825 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -145.65 137.76 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 133.67 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.836 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.84 141.58 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 61.43 111.102 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -142.91 134.74 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.998 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -137.24 129.52 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.62 125.89 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.53 127.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.15 111.102 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -143.16 115.43 8.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.865 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . 0.417 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 24.2 t-105 -120.15 128.12 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.957 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' N' ' 105' ' ' THR . 3.0 tm? -125.8 132.41 52.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 60.22 110.954 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' MET . . . . . 0.417 ' HB3' ' CZ2' ' F' ' 25' ' ' TRP . 3.4 ptp -132.12 130.2 40.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.863 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -164.69 173.05 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.15 110.898 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.186 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.828 0.347 . . . . 73.11 110.828 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.883 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.33 158.61 34.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.65 128.03 2.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 64.21 112.425 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -119.74 126.08 50.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 71.4 111.126 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -127.64 112.34 14.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.98 144.29 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.172 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -144.74 134.95 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 74.4 110.814 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.37 117.43 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 73.51 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -128.52 124.18 35.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.909 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -138.01 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.889 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 149.36 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.46 139.95 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 73.31 110.974 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.5 123.26 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 75.03 110.928 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.84 123.05 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.25 110.827 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -132.44 120.07 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 70.14 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -123.9 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 75.21 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 129.76 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.949 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.138 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -140.27 134.88 31.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -140.17 123.43 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.899 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -117.88 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.2 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.27 129.49 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.15 111.162 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.53 122.46 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.22 110.933 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.46 130.86 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.51 110.916 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.3 124.85 35.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 74.25 110.886 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.47 131.35 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.86 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . 0.549 HD22 ' NE2' ' M' ' 103' ' ' GLN . 3.2 p-10 -164.28 144.02 7.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.01 111.186 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 71.04 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -160.36 162.09 33.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.869 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.23 153.22 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.11 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.44 129.55 2.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 64.03 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p -117.6 124.63 49.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 74.12 111.059 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.22 110.867 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.0 147.03 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 74.23 111.15 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -138.81 135.24 34.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.84 116.2 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 74.05 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -127.43 125.35 40.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 72.55 110.929 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -135.59 145.97 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 64.12 110.831 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.02 149.28 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.2 110.903 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.29 139.21 35.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 71.43 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 122.5 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 63.12 110.939 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -124.87 122.64 37.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -131.67 119.74 21.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.36 138.67 54.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 130.01 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 72.22 110.868 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.51 137.37 53.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.91 135.71 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 74.22 110.902 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -141.09 123.89 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.4 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -116.28 130.14 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -131.64 128.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.147 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.12 117.0 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.1 129.11 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.56 125.68 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.942 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.47 129.18 46.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.945 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.71 143.58 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 72.24 110.918 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.155 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.33 . . . . 73.51 110.856 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -164.31 158.57 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.907 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -111.1 127.88 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 75.35 110.975 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.63 139.1 10.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 65.13 112.514 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.5 125.0 29.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 75.41 111.13 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -122.27 117.08 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -119.91 126.18 50.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.184 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 98.9 p -132.9 128.81 37.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -131.22 139.22 49.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.3 133.74 39.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.951 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -133.65 137.09 45.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 74.22 110.885 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.76 128.62 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 72.22 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -127.34 115.84 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 61.13 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 74.41 110.953 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -139.54 119.28 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 70.42 110.88 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.1 p -135.27 138.57 43.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.896 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.96 142.67 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 74.12 110.854 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.23 128.52 50.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 75.53 110.868 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.05 122.92 23.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.54 111.143 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -144.26 122.04 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -127.8 122.33 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -137.28 141.87 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -141.72 159.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.5 111.186 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -135.69 141.95 45.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -142.39 115.12 8.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.918 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tt -121.98 136.31 54.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 74.51 110.931 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 1.7 mmt -131.5 123.96 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -122.18 130.38 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.909 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.44 111.159 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.829 0.347 . . . . 75.31 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -165.57 156.76 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.846 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.82 126.34 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.87 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.03 136.62 8.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 74.24 112.4 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.69 122.29 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 64.31 111.163 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -123.68 115.78 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -120.32 125.83 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.22 111.097 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 98.1 p -134.18 124.79 26.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.87 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.95 141.68 47.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.874 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.62 135.36 44.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -129.47 138.81 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 64.41 110.903 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 129.34 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.902 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -125.16 115.4 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.955 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.94 136.65 53.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 73.43 110.931 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.89 119.51 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.865 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.2 p -136.9 136.05 38.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 70.1 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.69 141.33 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.932 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -124.39 130.72 53.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.11 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.42 125.36 34.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.134 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.48 123.68 16.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.896 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -130.75 122.41 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.01 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.29 139.37 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.85 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 11.8 m -142.3 156.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.118 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -137.8 144.09 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.45 110.982 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.21 118.77 11.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -120.66 137.45 54.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 73.31 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 1.8 mmt -130.35 125.67 35.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 73.4 110.881 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.04 130.11 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.162 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 74.54 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 91.7 p -149.82 169.47 21.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.15 110.903 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.96 126.96 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.878 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.67 137.36 8.65 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.713 -0.756 . . . . 73.3 112.493 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 10.8 t -126.66 128.43 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 75.2 111.196 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . 0.474 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 23.5 t80 -120.68 119.99 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.865 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.5 m -126.36 124.87 41.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 71.51 111.106 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 7.9 m -143.09 144.66 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.855 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.1 144.86 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 71.11 110.93 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -130.81 132.07 45.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 73.41 110.993 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -129.84 134.73 47.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 63.01 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.6 134.73 39.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 73.04 110.947 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -136.49 117.06 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 72.24 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.89 131.5 56.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.932 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.41 113.99 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.857 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.85 126.98 37.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 72.15 110.867 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -130.98 133.25 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.832 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.18 127.13 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.04 123.39 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 71.24 111.077 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.72 126.47 16.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.03 110.893 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.81 136.39 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.845 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.33 145.3 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 75.54 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 4.9 m -142.38 150.57 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 71.43 111.165 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.05 139.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.15 110.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -132.44 134.47 45.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.99 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -139.26 136.26 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 65.31 110.885 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -138.33 123.58 19.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 74.0 110.856 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -124.28 134.72 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 72.04 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.199 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.807 0.337 . . . . 71.5 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 171.76 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.834 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.54 125.39 54.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 71.23 110.962 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.83 136.17 7.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 72.55 112.521 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 10.5 t -129.83 127.72 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 75.32 111.092 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -119.16 120.46 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.53 110.83 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -122.08 125.32 45.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 71.32 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -144.5 140.97 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 75.12 110.862 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.73 145.82 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 73.15 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.43 129.9 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.896 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -128.18 134.43 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 60.22 110.882 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.28 134.96 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.922 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -134.32 116.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.73 131.19 56.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 75.33 110.889 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.05 113.94 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.858 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.8 124.79 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.832 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.56 129.6 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 127.18 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.835 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.62 125.77 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.13 111.09 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.86 127.1 21.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.959 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.42 139.39 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.942 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -143.98 142.67 30.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.897 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.76 146.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 73.41 111.098 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.87 139.14 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -132.66 136.61 46.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 5.9 tt -139.02 135.64 34.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.851 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -135.6 125.41 25.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.25 136.06 53.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.879 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.14 111.184 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 60.6 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.338 . . . . 74.41 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 142.12 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . 0.549 ' NE2' HD22 ' G' ' 28' ' ' ASN . 0.5 OUTLIER -103.79 127.11 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.929 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -139.62 139.08 9.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 75.2 112.517 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 3.3 t -131.82 127.2 36.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 75.14 111.143 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -121.47 124.8 45.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 120.58 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.129 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.84 128.22 46.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.859 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.23 119.16 23.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.41 129.19 56.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.919 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -133.4 134.54 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 65.41 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.95 133.52 33.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 75.44 110.916 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.1 122.23 23.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.59 131.86 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 75.11 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.68 109.56 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.843 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 122.12 28.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.899 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 134.63 47.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.871 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.88 128.64 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 75.24 110.892 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.87 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.51 111.098 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.95 124.5 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.914 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -126.57 120.28 29.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 72.13 110.897 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -138.33 143.5 39.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.979 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 m -142.78 154.13 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.4 111.135 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.03 143.42 50.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -144.14 126.01 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.906 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 5.5 tt -131.49 129.26 40.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.939 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.48 128.69 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.24 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -131.64 134.61 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 75.02 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.136 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 60.6 m170 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.344 . . . . 74.24 110.866 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 141.76 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.21 110.78 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.04 125.06 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 70.22 110.851 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.67 137.87 8.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 60.44 112.532 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 105' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' F' ' 26' ' ' LEU . 3.9 t -130.35 130.93 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 73.02 111.17 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -119.18 130.01 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 75.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.61 118.24 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.178 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 124.52 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 72.51 110.916 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.51 120.11 22.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.14 127.39 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.93 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 13.2 m -133.95 135.35 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.786 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.61 133.65 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 70.04 110.923 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -133.64 123.53 25.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.12 133.65 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 75.12 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.75 110.15 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.883 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.16 122.47 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.861 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.29 134.91 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.886 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.36 130.89 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.867 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.65 42.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 73.35 111.08 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -137.0 125.59 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.54 110.868 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -129.28 120.91 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -137.06 143.64 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 70.4 110.894 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.84 151.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.14 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.63 144.75 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.952 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -142.5 128.8 19.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 62.02 110.907 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 4.3 tt -129.46 129.47 44.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.956 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.16 133.18 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.867 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.95 132.92 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.52 111.127 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m170 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.735 0.302 . . . . 65.4 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 44.6 m -76.52 138.85 40.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.848 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.65 140.58 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 70.54 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.28 140.45 8.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 74.51 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.9 t -132.41 135.0 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 74.43 111.165 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -128.87 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 63.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 127.8 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.32 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.9 126.85 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.931 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -129.01 115.45 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -111.77 129.5 56.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.86 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.11 134.64 36.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 65.31 110.873 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 135.37 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 73.01 110.84 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.84 126.1 29.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.936 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.76 123.17 30.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.78 114.27 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.852 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.0 124.35 30.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.797 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -130.7 138.9 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.13 136.44 52.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.916 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 124.05 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.101 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -131.99 122.59 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.868 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -134.39 121.59 21.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.55 143.04 39.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.888 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.0 159.56 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 75.42 111.162 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.48 137.44 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.898 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 122.86 22.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 73.3 110.924 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 8.4 tt -123.75 130.86 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 5.6 mmt -127.03 125.2 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.902 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -126.91 131.99 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.161 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 73.35 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 45.1 m -75.37 139.11 42.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.794 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -120.28 139.98 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.15 7.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 63.41 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 4.8 t -129.57 136.88 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 71.11 111.131 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -130.08 127.83 40.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.917 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.29 127.09 45.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.132 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.05 127.08 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.875 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -128.73 114.81 17.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.92 129.25 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.945 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.26 134.41 36.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 54.11 110.86 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.32 134.97 36.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.956 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.12 126.13 31.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.31 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.65 123.81 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.942 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.32 113.08 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.916 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.17 127.28 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.877 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -129.95 140.11 50.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.44 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.6 138.24 54.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.2 123.23 25.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.128 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -132.53 123.21 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -138.51 119.43 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.11 110.91 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -138.8 142.53 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 17.7 m -142.72 156.37 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 73.3 111.112 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.75 134.87 32.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.892 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.79 123.55 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -122.36 132.67 54.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.907 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 5.6 mmt -125.45 127.63 46.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.915 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -124.7 133.4 53.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.095 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.735 0.303 . . . . 75.5 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.5 160.73 41.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 54.41 110.906 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.23 165.5 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.917 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.46 134.61 4.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 74.52 112.504 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 p -127.04 122.44 34.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 73.51 111.153 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.58 112.49 14.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 65.33 110.812 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 m -127.03 148.14 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 74.43 111.169 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -143.36 135.15 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 61.31 110.785 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.98 137.86 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 75.15 110.904 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -146.1 124.1 12.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.41 110.917 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 124.75 25.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 72.42 110.871 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -136.79 130.79 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 75.4 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.21 150.67 51.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 pp -139.08 130.14 26.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.21 122.27 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.53 110.906 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.18 138.58 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.922 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -137.16 127.53 26.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.847 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -124.8 121.21 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.98 139.14 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 71.02 111.105 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -138.98 124.19 19.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.43 123.34 47.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.23 125.25 43.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 75.23 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -141.28 130.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.155 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.09 149.18 47.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.924 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -144.47 132.32 21.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 75.52 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 61.2 tp -124.23 137.67 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.946 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.6 ptp -130.38 135.12 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.01 176.89 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.145 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.813 0.339 . . . . 62.35 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.05 161.89 41.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.879 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.84 162.48 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.888 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.07 136.84 5.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 74.3 112.491 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -124.21 121.49 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 71.34 111.167 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.35 119.08 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -120.19 149.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.15 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -139.38 135.32 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.869 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.13 136.85 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.936 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -144.46 125.46 14.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 75.43 110.91 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.29 127.63 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 75.23 110.8 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -134.1 134.37 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 75.41 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.8 147.3 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.37 126.47 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.92 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.37 122.97 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.955 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.03 137.45 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 51.11 110.83 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -136.66 124.54 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.822 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.87 122.38 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.824 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.29 139.28 53.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.15 111.109 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -138.95 125.08 20.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 63.23 110.945 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.52 126.42 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -122.98 124.97 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.856 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.6 t -142.27 127.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 63.43 111.145 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 149.89 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.919 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -143.47 131.74 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.916 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.44 138.25 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.51 110.935 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -129.95 135.06 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.897 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -155.68 176.83 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 70.24 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.105 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 74.02 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -154.05 156.05 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 52.21 110.918 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.08 150.52 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.96 134.22 6.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 73.44 112.515 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -125.65 119.75 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 74.52 111.217 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 113.5 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -127.97 147.31 50.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.1 m -136.16 135.31 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.786 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 121.53 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -124.07 129.65 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.956 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -134.27 138.91 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 64.41 110.839 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -148.3 139.44 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -137.1 136.04 37.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 70.31 110.916 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 126.86 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.71 126.22 32.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 72.3 110.893 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 122.02 18.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.881 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -125.91 136.46 53.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -130.16 136.76 49.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 74.3 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.25 131.46 45.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.32 111.076 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.51 124.31 33.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.908 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.79 122.0 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -124.13 119.32 29.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.843 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.23 134.36 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 73.31 111.094 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.28 127.54 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.978 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -123.46 128.83 50.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 74.53 110.914 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 130.1 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -164.49 154.02 13.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.42 111.187 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 75.44 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -153.35 156.0 37.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.859 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.68 147.3 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.911 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.32 134.45 5.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 61.23 112.525 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -123.83 118.74 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 72.45 111.142 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.17 119.25 23.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.823 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -123.81 146.53 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 73.24 111.1 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.7 m -133.48 135.57 44.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.84 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.55 119.17 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.871 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -124.09 129.5 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -133.86 140.52 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.037 -0.529 . . . . 64.52 110.864 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -144.86 140.39 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -135.61 135.9 40.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 74.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 126.27 35.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.898 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.05 126.99 35.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.785 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 119.4 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.925 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -124.56 133.8 53.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 73.54 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -133.57 137.17 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.5 131.92 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.43 111.091 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.65 125.04 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 61.45 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.01 123.8 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.37 118.66 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.88 133.43 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 73.4 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -143.15 127.7 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.885 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -125.5 131.11 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.34 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.33 139.99 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.913 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.9 129.55 20.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.877 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -165.31 154.12 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 65.42 111.104 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 73.53 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.93 156.1 41.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.893 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -157.2 140.36 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.0 128.23 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 70.12 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 5.8 p -121.62 122.28 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.329 . . . . 74.53 111.185 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.93 112.69 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 75.24 110.843 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -128.88 148.9 50.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.03 111.126 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 68.8 m -141.22 135.32 30.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.838 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.21 119.7 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.873 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -123.48 122.86 39.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 63.34 110.919 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 140.66 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.927 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -152.69 135.2 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -131.15 135.53 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 115.0 18.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.22 122.69 43.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.35 119.0 20.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.851 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 139.53 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.856 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.9 145.69 42.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.798 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.5 143.34 50.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.071 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.35 134.01 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -139.93 136.69 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 63.11 110.799 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.26 118.34 23.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.09 116.24 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' HA ' ' M' ' 107' ' ' THR . 0.0 OUTLIER -147.45 139.13 24.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.982 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . 0.46 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.2 p-90 -141.74 140.55 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -127.45 127.3 43.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.953 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -120.05 131.35 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.844 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -163.98 154.25 15.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.158 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.14 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.99 156.24 41.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 74.43 110.85 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -153.65 136.14 15.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 72.44 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 128.41 4.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -119.95 121.51 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 70.25 111.128 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.43 117.55 19.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.915 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 24.4 m -124.6 149.24 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.35 111.088 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -137.83 135.41 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.939 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.55 117.11 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 110.795 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -123.09 123.38 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.968 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.91 139.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.862 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -148.44 137.07 21.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 63.31 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -130.7 134.06 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.84 116.23 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.5 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.9 122.76 41.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.912 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.33 119.87 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.5 137.68 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 75.32 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -138.74 143.06 38.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.63 140.39 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 61.43 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.87 135.56 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.936 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.851 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -125.95 117.45 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.804 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.35 118.33 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.15 111.13 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.07 134.4 19.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.883 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' F' ' 25' ' ' TRP . 1.6 p-90 -139.96 140.42 36.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.944 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -123.84 128.01 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 60.22 110.882 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -123.24 129.89 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.871 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -164.94 153.84 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.888 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.51 111.146 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.337 . . . . 73.11 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -174.57 160.09 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.909 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -159.0 138.35 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 128.24 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 64.21 112.53 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -121.69 119.28 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 71.4 111.128 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -128.45 121.77 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.53 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -134.23 143.14 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.052 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -133.7 135.21 43.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.896 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.91 115.67 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.857 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -121.02 121.46 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.981 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -129.76 143.2 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.801 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -157.04 137.51 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 72.12 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -135.35 140.03 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.935 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.58 123.14 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.03 110.94 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -125.8 124.57 41.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.924 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 126.55 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 70.14 110.833 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -131.46 139.59 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 75.21 110.85 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.74 138.19 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.88 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.43 139.33 50.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 72.22 111.136 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.22 134.09 28.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.93 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.55 134.54 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.25 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.25 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.2 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.2 t -137.96 133.54 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.15 111.11 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.54 130.67 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 52.22 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 130.32 44.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -128.28 132.18 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 74.25 110.915 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.13 129.81 36.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 72.01 110.942 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.45 162.58 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 74.01 111.117 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 71.04 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -173.82 161.39 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.844 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -155.36 133.46 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 128.76 5.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 64.03 112.539 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 16.1 p -120.68 119.88 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 74.12 111.097 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -127.09 125.51 41.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 63.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -129.75 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.093 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -130.84 134.94 47.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.1 112.96 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.05 110.886 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -121.31 121.21 37.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 72.55 110.962 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -128.72 142.15 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 64.12 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -152.61 139.27 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.2 110.879 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -133.21 138.28 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.04 120.06 24.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 63.12 110.905 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -126.48 123.14 37.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.863 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 124.16 25.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.86 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -131.59 136.49 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 75.53 110.847 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.24 137.98 44.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 72.22 110.827 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.99 140.07 51.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.33 111.05 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.57 133.96 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 74.22 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.97 132.53 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 73.4 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.79 137.67 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.48 129.99 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 73.14 111.097 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 129.0 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.944 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.21 128.76 38.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -129.06 132.4 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.961 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.59 128.48 31.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.842 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . 0.439 HD22 ' NE2' ' P' ' 103' ' ' GLN . 0.2 OUTLIER -165.18 164.93 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.24 110.841 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.01 111.161 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 73.51 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.33 166.69 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.84 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.1 127.35 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 75.35 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.31 138.99 10.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 65.13 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -128.97 119.19 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 75.41 111.142 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -116.57 126.33 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.855 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.4 122.87 34.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -130.76 128.12 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.825 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -142.56 136.01 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 54.21 110.858 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -133.59 130.89 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.983 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.46 134.68 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.874 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 128.79 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 72.22 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -134.84 125.14 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 61.13 110.917 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 137.86 54.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.41 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -140.01 117.18 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.887 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 27.3 m -120.78 133.67 55.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.68 124.45 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.892 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -129.35 125.39 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.879 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.15 123.69 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -130.37 128.24 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.91 133.31 41.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.809 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -146.03 143.96 29.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 74.35 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.1 155.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 74.5 111.11 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.02 135.08 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.872 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -136.49 113.45 10.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 72.42 110.938 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -121.73 130.78 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.932 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.5 129.16 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 71.01 110.871 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.05 139.84 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 72.41 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 64.44 111.063 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.795 0.331 . . . . 75.31 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.2 166.68 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.79 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.4 125.9 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.928 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.2 137.68 9.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.488 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 1.2 m -129.05 119.3 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 64.31 111.122 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -117.75 126.1 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.867 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.38 121.48 32.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.112 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -133.3 124.76 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.941 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -144.15 139.78 29.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -131.05 130.04 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.2 135.04 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.89 128.09 29.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -133.24 126.23 31.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 74.1 110.949 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.02 139.63 53.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 73.43 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -137.08 119.56 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.852 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 27.0 m -122.27 130.6 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 70.1 110.843 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.89 125.37 23.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -130.05 128.74 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.03 126.26 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.108 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -132.93 127.16 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.23 134.97 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.846 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -146.12 139.25 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 13.9 m -141.65 154.54 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.137 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.12 138.58 46.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 72.45 110.947 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -130.76 115.87 17.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 tt -119.97 131.04 55.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.933 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.44 133.99 51.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.901 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.84 138.05 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.129 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 60.4 m170 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 74.54 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.05 161.62 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.937 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.11 128.93 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.932 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.49 137.5 8.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 73.3 112.463 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.4 t -133.9 136.28 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 75.2 111.128 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -132.58 114.53 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.53 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.182 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 124.64 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 73.21 110.829 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.49 132.18 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 71.11 110.965 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -131.14 127.65 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.93 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -126.92 134.14 50.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 63.01 110.974 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 133.93 44.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.04 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -133.69 115.98 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.24 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.32 120.96 39.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.529 . . . . 74.42 110.904 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -129.23 113.25 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.888 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -129.45 131.4 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.855 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -140.26 143.36 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.833 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.53 140.53 44.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.905 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.44 123.67 20.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.118 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -134.41 129.15 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.03 110.957 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.27 129.96 32.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.857 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -140.8 144.94 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.54 110.886 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.81 154.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 71.43 111.1 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -126.34 130.57 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.15 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -133.36 111.04 10.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -121.06 129.99 53.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 65.31 110.993 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.56 125.04 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 74.0 110.904 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -128.15 134.41 49.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.04 110.911 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.158 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 71.5 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.57 162.64 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 72.05 110.853 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.29 126.49 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.94 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.96 135.66 7.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.653 -0.784 . . . . 72.55 112.416 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.8 t -132.46 129.07 38.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 75.32 111.137 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -127.77 111.66 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 75.53 110.867 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.23 125.97 54.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.32 111.108 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 124.41 23.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -135.12 133.67 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.857 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -129.3 127.78 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.914 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -127.61 135.41 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 60.22 110.862 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.82 134.53 46.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.513 . . . . 74.12 110.878 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -131.84 115.43 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.7 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.901 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.33 114.11 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.21 110.861 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 84.4 p -129.64 130.43 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.86 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -137.89 143.86 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.824 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.31 140.35 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.83 124.24 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.13 111.073 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -135.04 127.54 30.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.08 131.85 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.53 144.67 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.32 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 14.2 m -140.74 150.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.41 111.155 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -130.42 133.11 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.919 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -129.56 111.97 13.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.96 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 128.67 47.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.857 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -125.83 132.77 52.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 73.14 111.128 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.803 0.335 . . . . 74.41 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 148.98 26.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.54 110.876 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.79 130.3 53.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 75.2 112.48 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.84 132.34 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 75.14 111.089 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . 0.46 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 35.7 t80 -129.03 127.0 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.918 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 107' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' E' ' 24' ' ' GLN . 11.3 p -133.35 116.2 15.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.148 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 28.0 t -133.16 134.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.91 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -131.61 143.37 50.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.793 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -131.24 140.98 49.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.928 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -146.63 134.23 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.852 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 133.24 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 75.44 110.866 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -125.24 115.09 19.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.853 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.23 121.57 39.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -132.61 111.12 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 75.0 m -127.17 126.6 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.87 138.55 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.822 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -126.92 140.19 52.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.78 123.18 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 70.51 111.074 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.86 126.23 24.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.967 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.68 128.25 28.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.934 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.7 142.98 38.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.899 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 9.5 m -140.58 154.7 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.4 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.05 134.84 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -138.92 112.36 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.71 134.54 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.1 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.71 124.18 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.881 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -126.0 140.74 52.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.905 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.168 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.719 0.295 . . . . 74.24 110.814 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.29 148.99 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.81 126.54 52.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 70.22 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.01 135.53 7.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.764 . . . . 60.44 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.9 132.74 43.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 73.02 111.131 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -126.86 129.49 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 15.7 p -129.4 117.47 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.191 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -134.07 125.22 27.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 72.51 110.889 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -134.25 144.47 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -133.59 139.64 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.913 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -143.61 134.81 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.851 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.88 133.56 43.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 70.04 110.935 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -126.15 115.2 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 74.23 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.01 121.09 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.12 110.969 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -134.66 109.73 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.911 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 75.6 m -125.92 129.88 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.89 137.09 42.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 72.34 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 139.74 53.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.6 124.32 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 73.35 111.171 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.43 126.9 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 73.54 110.901 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -137.51 127.58 25.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.884 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -136.82 142.25 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 70.4 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 m -141.07 150.2 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 75.12 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -131.8 136.09 47.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -136.62 115.12 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 62.02 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.79 134.71 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.873 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.8 125.71 36.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.881 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -121.78 139.73 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.879 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 71.52 111.086 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.4 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -75.07 174.84 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.88 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.19 134.92 54.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.6 138.54 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.659 -0.781 . . . . 74.51 112.436 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.83 132.02 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 74.43 111.166 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -128.75 133.62 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 63.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.46 131.17 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 75.32 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.92 136.76 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.889 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -134.94 136.77 42.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.849 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.52 128.9 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.914 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -135.35 135.34 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 65.31 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -136.36 133.52 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.01 110.886 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -131.03 119.66 22.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.931 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.46 117.33 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 73.24 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 111.38 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.874 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -130.03 129.57 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -137.77 141.62 40.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.72 140.78 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.823 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.56 123.67 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.156 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -137.02 124.39 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -134.93 127.29 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -138.38 143.7 39.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 9.5 m -142.05 151.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.42 111.164 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -130.03 137.42 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -139.58 116.61 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -125.58 132.23 52.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.922 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 124.23 38.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.875 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -123.33 134.83 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.32 111.165 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 73.35 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 52.5 p -76.66 177.44 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . 0.439 ' NE2' HD22 ' H' ' 28' ' ' ASN . 0.3 OUTLIER -116.88 134.95 54.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.8 140.06 8.41 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 63.41 112.518 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.25 136.28 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 71.11 111.145 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -129.16 133.47 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.59 130.26 34.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.41 111.194 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.36 139.14 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.829 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -136.3 136.06 39.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.874 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 127.76 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -137.59 134.76 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 54.11 110.86 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -139.14 132.7 30.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.905 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -130.81 120.02 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.941 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.36 118.25 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.844 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.64 109.98 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.811 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -129.09 131.28 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.24 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -138.99 140.59 38.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 141.8 51.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.82 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.33 123.53 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 72.35 111.096 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -136.79 126.15 24.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.921 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -137.98 125.56 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -137.54 143.89 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 74.22 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.96 150.21 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.084 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -131.63 136.47 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -139.44 117.69 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.939 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -126.1 132.69 51.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.969 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.69 125.47 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.948 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -121.91 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.953 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 74.53 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.815 0.34 . . . . 75.5 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.63 157.23 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.41 110.904 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -156.19 145.88 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.943 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.44 128.27 4.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 74.52 112.536 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -122.55 128.58 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 73.51 111.147 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -126.07 111.65 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.33 110.836 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.09 141.15 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.141 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -140.29 134.88 31.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 61.31 110.859 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.76 118.82 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.15 110.87 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.72 127.04 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.934 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -136.65 136.79 39.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 72.42 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 138.97 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.955 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -133.1 143.75 49.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -138.78 137.54 36.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 75.41 110.903 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.21 122.87 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.895 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.11 128.46 50.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.903 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -128.43 130.75 48.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -132.27 121.79 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.07 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 71.02 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -144.11 123.74 13.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 75.11 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -118.59 128.59 54.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.94 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.51 122.76 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.823 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.4 117.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.39 143.64 47.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.915 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -156.74 143.03 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 75.52 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.57 147.96 50.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 75.01 110.933 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.54 133.69 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.878 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -136.78 173.28 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.187 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 62.35 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.18 156.71 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.808 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -155.11 143.03 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 130.51 4.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.3 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -122.09 126.21 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 71.34 111.154 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.5 112.24 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 139.93 49.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.23 111.127 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -136.65 134.74 37.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 73.12 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.7 119.78 13.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 64.32 110.906 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -128.57 128.37 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.923 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -133.56 138.89 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 75.23 110.835 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.8 138.0 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 75.41 110.876 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -131.12 142.59 50.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 74.2 110.98 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -142.01 135.24 29.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -142.32 123.04 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.896 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 128.58 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 51.11 110.802 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -125.98 127.46 45.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . 0.531 ' N ' ' HZ3' ' J' ' 112' ' ' LYS . 8.1 ttm-85 -135.33 121.22 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.87 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.11 143.19 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 72.15 111.134 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -143.09 124.07 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.903 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.53 131.67 56.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.84 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -123.7 120.89 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.37 117.58 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 63.43 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.49 148.81 49.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.876 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -152.63 134.51 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.973 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.63 148.79 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.5 133.53 48.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.882 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -136.59 172.38 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 70.24 110.931 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.119 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 74.02 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.29 155.35 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 52.21 110.9 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.32 145.04 21.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.962 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.17 128.31 4.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 73.44 112.501 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -121.84 125.82 47.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 74.52 111.16 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.02 111.49 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 139.84 50.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.155 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.3 m -140.03 134.87 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.835 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 120.51 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -130.38 123.51 30.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.911 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.05 136.69 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.849 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 138.41 37.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.912 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -132.49 138.0 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.968 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.53 130.55 40.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 72.14 110.966 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.27 123.01 24.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.824 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.94 119.89 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.893 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.77 132.86 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.881 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -132.33 132.01 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.96 140.32 50.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -146.24 123.29 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.35 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -124.42 139.25 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.82 131.44 49.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.947 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.44 117.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 73.31 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.19 135.53 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.914 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.405 ' NE1' ' HB3' ' K' ' 106' ' ' PHE . 6.1 p-90 -139.86 148.91 42.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.91 148.73 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.55 110.832 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.24 130.66 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.829 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.55 153.95 17.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 70.42 111.194 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.822 0.344 . . . . 75.44 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.25 154.84 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.916 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -154.0 141.45 19.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 130.43 4.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 61.23 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -121.51 123.49 42.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 72.45 111.115 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -123.99 112.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 74.12 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.62 138.41 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 73.24 111.165 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -135.84 134.96 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.879 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.39 119.86 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.802 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -130.88 123.23 28.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.917 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.17 138.85 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 64.52 110.889 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.12 138.26 41.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.969 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 11.0 t80 -132.28 136.11 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 74.31 110.961 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.62 130.08 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.922 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.85 124.31 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.867 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.94 119.29 27.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.85 131.4 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 73.54 110.877 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -135.1 131.99 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.32 139.02 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.062 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.68 123.37 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 61.45 110.896 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -121.42 141.41 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -126.71 132.3 51.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.66 121.03 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 73.4 111.179 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 135.44 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.854 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -140.75 140.5 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' HA ' ' J' ' 105' ' ' THR . 0.1 OUTLIER -128.37 141.98 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.918 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.69 126.99 26.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.851 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -166.16 152.89 9.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.02 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.168 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 73.53 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.04 158.8 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.845 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.866 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.89 3.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 70.12 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.15 132.53 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 74.53 111.171 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.32 111.76 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.915 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 136.19 53.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.03 111.169 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -136.97 134.31 36.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.859 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.12 132.5 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.35 110.84 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -141.39 127.32 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.901 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.6 134.94 47.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.818 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -137.58 126.78 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.875 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.78 124.13 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.949 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.54 112.51 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 75.22 110.909 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -114.05 121.04 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.9 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 53.6 p -133.75 138.78 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.85 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -142.52 139.83 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.869 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.26 132.92 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.879 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.93 139.54 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.44 111.146 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -146.9 123.52 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.976 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.31 135.95 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.832 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.55 132.5 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.912 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.79 117.76 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 72.23 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -151.94 137.45 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 4.4 p-90 -139.03 143.5 38.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 73.44 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -120.99 134.45 55.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.968 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.1 ptp -126.79 131.66 51.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.861 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.09 177.12 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.116 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 73.14 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.19 157.24 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.8 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -151.89 145.38 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 72.44 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.82 129.38 3.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.503 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.11 129.95 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 70.25 111.123 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.74 113.44 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 136.42 53.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 74.35 111.171 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.9 t -132.76 134.66 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 71.54 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.19 131.5 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 64.31 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -141.46 127.0 18.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.915 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.74 132.9 44.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.832 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -139.81 128.95 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 63.31 110.915 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -129.29 123.07 30.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 72.33 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.02 112.84 24.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.929 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.36 122.29 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.924 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 53.9 p -133.19 139.64 47.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.822 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -143.3 138.38 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.829 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -136.37 135.11 38.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 73.13 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.69 139.74 52.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 61.43 111.113 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.17 124.15 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -126.9 137.91 53.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 73.12 110.814 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.58 135.88 54.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.844 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.23 121.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 74.15 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -151.84 136.8 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -143.97 142.43 30.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -120.76 133.49 55.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 60.22 110.94 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptp -127.8 129.9 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.883 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.48 177.2 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.178 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 73.11 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.67 153.62 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.884 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -151.61 144.34 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.05 128.35 4.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 64.21 112.505 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -121.62 131.97 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.3 . . . . 71.4 111.147 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -131.3 111.7 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.826 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 134.45 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.32 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.83 135.22 47.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.849 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.64 130.42 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -140.51 134.15 30.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.854 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -124.12 138.83 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 72.4 110.83 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -134.75 124.06 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.93 131.69 53.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.915 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -129.84 112.4 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -123.14 122.45 38.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.12 129.63 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.912 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.18 138.9 45.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 75.21 110.898 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -133.92 135.46 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.63 139.17 54.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.22 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -148.6 124.17 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 73.1 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.56 128.09 34.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 72.25 110.891 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.18 133.24 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.47 138.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.15 111.102 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.8 151.95 34.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 52.22 110.947 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -152.98 131.41 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 71.51 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -121.22 133.47 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.7 ptp -125.94 133.64 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.01 110.935 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -160.59 174.83 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.866 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.01 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 71.04 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.12 152.38 34.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.872 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -149.93 141.6 23.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.974 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 131.17 4.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 64.03 112.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -119.09 129.9 55.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 74.12 111.108 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.77 112.26 12.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 132.37 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.199 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.24 134.59 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.838 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.66 126.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.816 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -139.63 131.77 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.55 110.919 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -126.82 136.93 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 64.12 110.834 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -136.32 126.3 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.869 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -121.87 133.19 54.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -125.68 112.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 63.12 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -120.99 122.58 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.842 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.07 128.65 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 72.13 110.84 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -133.86 135.41 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 75.53 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -134.79 134.59 41.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.881 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.29 138.63 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.33 111.106 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -146.31 125.58 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -133.68 129.15 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.4 110.832 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.08 135.34 54.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.817 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -136.33 136.21 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 73.14 111.114 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.46 151.33 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.93 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -160.71 130.06 4.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.995 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -121.99 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.44 110.925 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -125.43 131.69 52.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.938 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -162.25 176.55 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.141 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.831 0.348 . . . . 73.51 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -179.93 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.01 110.827 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.21 127.1 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 75.35 110.893 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.77 139.08 13.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.498 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 5.7 m -130.77 124.88 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 75.41 111.123 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -121.9 133.65 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.917 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 14.2 m -138.87 120.09 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.113 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 27.4 t -130.53 132.83 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.23 140.62 35.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 54.21 110.826 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -131.59 127.63 37.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 75.54 110.966 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.92 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.903 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.12 128.33 33.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.831 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -129.83 124.61 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.902 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.75 126.4 41.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.922 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.48 112.24 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 70.42 110.829 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 9.4 t -113.4 139.68 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 73.32 110.794 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 6.0 ttp85 -150.36 139.26 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 74.12 110.826 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 135.4 29.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.836 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.45 123.68 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.54 111.035 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.5 123.82 28.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.9 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -132.68 126.05 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 74.24 110.866 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -142.16 144.9 33.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.905 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 11.7 m -142.77 160.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -139.52 139.04 36.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.898 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.55 122.5 24.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 8.9 tt -116.2 125.7 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.406 . . . . 74.51 110.972 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 3.6 mmt -122.69 124.81 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.902 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.41 110.942 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.44 111.117 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 75.31 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 -179.82 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.895 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.39 127.08 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.891 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.23 138.59 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 74.24 112.478 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 105' ' ' THR . . . . . 0.42 ' HA ' ' HG ' ' D' ' 26' ' ' LEU . 5.8 m -126.37 122.97 36.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.338 . . . . 64.31 111.097 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -125.79 137.27 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.25 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 13.9 m -138.94 118.64 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.22 111.15 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 27.3 t -132.56 126.75 33.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -144.71 143.53 30.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.14 127.75 42.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.888 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.18 134.5 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . 0.531 ' HZ3' ' N ' ' B' ' 18' ' ' ARG . 0.4 OUTLIER -133.98 128.46 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.899 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.76 125.57 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.1 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 125.47 36.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 73.43 110.913 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.0 112.19 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.862 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 9.3 t -116.21 138.5 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 70.1 110.86 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -147.87 142.12 26.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 75.11 110.882 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.51 136.7 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.857 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.14 126.26 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.118 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.11 122.71 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.958 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -132.55 129.98 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.809 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -141.0 143.99 34.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.46 158.17 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.14 111.197 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -142.81 139.95 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 72.45 110.932 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -129.89 123.47 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 9.0 tt -118.17 124.73 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.946 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.81 127.48 50.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 73.4 110.821 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -126.4 126.91 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 62.14 110.895 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 73.14 111.154 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 74.54 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 147.55 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 71.15 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.59 127.45 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.21 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.52 142.66 13.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 73.3 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 7.0 t -137.29 126.77 25.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 75.2 111.166 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . 0.405 ' HB3' ' NE1' ' C' ' 25' ' ' TRP . 27.8 t80 -125.57 119.78 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.832 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -129.94 124.41 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.51 111.151 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -142.18 147.49 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.911 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.19 148.7 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.839 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.79 128.58 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.903 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -125.17 134.48 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.01 110.897 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 138.47 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -140.74 124.32 16.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 72.24 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 129.41 47.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.937 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.08 109.96 11.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.832 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -115.3 121.35 42.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.819 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.42 144.6 51.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.874 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.64 138.82 27.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.28 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.092 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -129.27 122.11 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 73.03 110.955 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -127.93 125.37 39.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -141.47 142.59 33.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 75.54 110.908 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 8.7 m -142.84 157.05 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.177 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.44 139.31 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 65.15 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -131.09 121.34 24.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.95 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -115.05 124.09 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 65.31 110.926 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.9 mmt -121.49 124.87 45.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.63 129.07 46.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 72.04 110.881 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.02 111.189 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 71.5 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.28 148.94 30.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.05 110.815 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.91 125.52 51.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 71.23 110.84 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -130.4 136.57 8.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.55 112.48 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 9.8 t -135.0 127.8 31.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.326 . . . . 75.32 111.169 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -126.12 117.97 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -122.24 126.64 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.32 111.18 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 61.8 p -143.53 141.39 30.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.831 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.01 150.04 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.41 127.63 41.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.898 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -123.53 134.58 53.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 60.22 110.822 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.8 140.02 36.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.947 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -138.9 125.2 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.69 130.0 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 75.33 110.932 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.97 110.1 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 72.21 110.89 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 122.17 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.852 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.2 146.26 51.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -149.36 139.71 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 73.35 110.858 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.25 123.94 19.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -126.09 122.38 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.973 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -128.6 126.62 40.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.906 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -138.65 142.35 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.32 110.892 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.46 154.96 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.085 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.24 139.76 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 75.42 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.94 121.75 28.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 tt -116.09 123.41 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.965 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.81 126.43 50.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 128.21 45.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 73.14 111.075 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 74.41 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.65 145.37 26.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 75.54 110.808 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 127.46 53.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.16 138.66 9.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.48 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 12.7 t -125.81 134.12 51.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 75.14 111.199 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . 0.442 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 18.3 t80 -124.68 121.96 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -128.62 129.08 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.205 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 68.6 p -147.17 146.83 30.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.835 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.37 149.53 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.73 127.78 39.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.927 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.66 134.75 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 65.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 141.47 36.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 75.44 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -138.74 133.46 32.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.966 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.43 129.75 37.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.943 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.31 117.55 14.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -131.86 127.64 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.881 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -124.97 130.39 52.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.4 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 119.34 33.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 75.24 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.56 123.42 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.51 111.099 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -132.31 122.27 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.862 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -129.72 128.52 42.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.848 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.08 143.59 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.897 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 8.3 m -141.49 154.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.085 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.24 140.43 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -128.75 130.23 46.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.96 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -122.89 125.27 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.32 125.01 44.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.906 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -128.3 132.31 48.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.853 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.172 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.34 . . . . 74.24 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.82 144.96 26.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.801 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.88 125.0 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -143.68 135.01 6.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.828 -0.701 . . . . 60.44 112.516 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 11.1 t -130.44 132.78 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 73.02 111.181 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -125.29 120.61 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -126.16 129.18 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.11 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 69.5 p -147.88 146.48 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 72.51 110.804 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -146.12 150.31 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.32 110.886 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.71 127.05 41.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 75.11 110.977 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.72 134.59 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 74.35 110.827 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.91 141.98 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.914 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.71 133.2 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 129.22 37.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 75.12 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -137.29 118.04 14.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.874 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -131.12 126.09 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -124.63 129.13 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 72.34 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 120.68 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -124.03 123.75 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.35 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -130.04 122.34 28.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -131.26 129.5 41.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.51 110.897 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.46 141.11 29.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 70.4 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -141.74 153.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.083 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 138.52 42.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.878 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -128.49 127.76 43.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 62.02 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 tt -124.64 124.13 41.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.926 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.7 129.09 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 72.22 110.84 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.73 130.76 50.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.869 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.52 111.181 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 65.4 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 50.0 m -78.04 177.88 7.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.813 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -124.44 129.03 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 70.54 110.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.31 139.36 9.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 74.51 112.474 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 5.3 t -125.14 124.29 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 74.43 111.157 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -119.15 132.15 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 63.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.46 138.54 38.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 75.32 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.47 142.76 23.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.822 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.99 133.52 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.835 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 129.82 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.962 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.16 135.81 43.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 65.31 110.882 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -140.32 143.06 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 73.01 110.872 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -135.29 127.05 29.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.33 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.28 126.5 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.901 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.18 129.55 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -139.51 134.12 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.842 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 140.23 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.84 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -127.49 119.68 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.888 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -119.4 123.53 44.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 74.35 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.35 131.83 46.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 75.02 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.03 118.18 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -144.58 139.36 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.831 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 3.9 m -144.69 151.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 75.42 111.174 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -127.25 139.39 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.873 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -133.53 128.11 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 73.3 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -122.53 128.4 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.892 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.82 124.98 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.9 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.12 128.29 44.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 64.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.15 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 36.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 73.35 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -76.02 177.43 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.1 110.852 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -126.04 127.22 45.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.914 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.73 138.63 8.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 63.41 112.577 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.5 t -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 71.11 111.11 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.02 133.35 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.8 138.56 37.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.41 111.072 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 142.2 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.912 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -142.92 132.49 23.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.881 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -118.01 129.44 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.88 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.83 134.85 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 54.11 110.801 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -139.6 142.7 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 73.41 110.905 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -135.49 126.77 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.14 127.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 75.14 110.99 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.99 128.15 35.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -136.81 135.2 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.868 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.77 137.71 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 72.44 110.89 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -126.62 120.32 29.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.85 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.18 123.19 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.119 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -126.17 132.74 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -137.81 116.88 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 64.11 110.848 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -141.16 140.11 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.22 110.917 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 8.0 m -145.21 149.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 73.3 111.156 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -128.21 138.18 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -132.21 128.7 38.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.53 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 8.6 tt -122.59 128.37 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.953 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.41 127.43 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.85 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.07 128.21 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.53 111.153 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.778 0.323 . . . . 75.5 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -157.35 160.42 38.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 54.41 110.862 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -163.52 132.81 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.34 110.881 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.36 127.88 6.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 74.52 112.522 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -126.21 117.8 23.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 73.51 111.141 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.91 125.41 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.33 110.922 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.4 t -137.47 147.91 45.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.125 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -134.58 135.29 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 61.31 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.18 126.83 30.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.944 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -136.46 136.24 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.927 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 138.12 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 72.42 110.836 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.58 136.83 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.4 110.858 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -137.74 137.58 38.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.85 129.67 44.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.913 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -133.07 123.08 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.53 110.789 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -134.63 120.31 19.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.44 130.73 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 74.4 110.94 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.17 139.14 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 71.02 111.134 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.7 125.46 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.889 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.42 132.42 39.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.1 143.09 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.66 137.91 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.152 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -139.67 144.68 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.956 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -137.26 131.68 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.943 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.4 tp -125.08 136.5 53.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 75.01 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -134.36 134.87 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 75.12 110.888 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -152.2 176.89 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 74.24 111.069 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.753 0.311 . . . . 62.35 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -157.31 160.35 38.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.846 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -161.76 130.12 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 128.67 6.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 74.3 112.518 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -126.38 115.85 20.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 71.34 111.102 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.52 132.53 35.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.869 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -132.56 151.72 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 74.23 111.125 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -131.81 135.88 47.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.08 126.78 30.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 64.32 110.899 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -135.39 137.25 42.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.948 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 140.2 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.848 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.07 140.08 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 75.41 110.934 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 74.2 110.851 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.23 128.56 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 73.44 110.927 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -134.06 123.02 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.922 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -134.13 119.91 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 51.11 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.31 125.76 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 72.33 110.904 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 74.02 110.876 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.67 139.08 50.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.15 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -134.87 123.83 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.966 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.75 133.41 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.802 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' J' ' 109' ' ' ASP . 0.1 OUTLIER -134.76 141.46 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.851 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 140.68 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 63.43 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -138.9 145.64 40.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -137.03 130.96 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -125.39 136.64 53.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -136.92 132.57 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.862 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -152.71 177.05 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.183 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.786 0.327 . . . . 74.02 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 159.33 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 52.21 110.859 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -157.48 130.77 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 73.34 110.935 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 137.99 10.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.478 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.93 113.89 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 74.52 111.22 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -126.56 123.55 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -136.6 146.49 46.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.071 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -136.22 135.18 38.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 64.24 110.814 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -133.92 124.74 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.842 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -126.66 130.18 49.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.942 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.21 135.45 48.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.9 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -146.15 123.96 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.909 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.54 126.75 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 70.31 110.888 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.4 113.76 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.928 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -117.91 121.72 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.3 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -133.33 141.26 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.912 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -142.63 136.9 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.882 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 138.8 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.3 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.64 141.89 50.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.15 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.89 123.65 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.909 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.77 138.15 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.896 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.66 128.79 39.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.884 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -141.07 119.61 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.31 111.096 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -152.59 137.28 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.919 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 1.5 p-90 -140.42 144.09 35.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.987 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -122.87 132.02 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.922 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.03 133.01 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.873 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -164.4 135.99 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 70.42 111.081 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 75.44 110.798 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.4 159.0 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.826 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -156.04 129.75 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.13 137.09 9.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 61.23 112.389 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -133.37 113.96 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 72.45 111.117 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -127.43 128.21 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -130.31 143.52 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.24 111.095 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -134.06 134.86 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.827 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -139.77 121.56 15.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.82 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -125.96 127.15 45.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 74.44 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 134.24 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 64.52 110.895 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -145.9 127.06 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.84 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.95 122.55 30.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.907 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.18 114.47 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -116.34 122.39 44.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.807 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 92.3 p -131.46 141.19 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.878 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -142.6 135.44 28.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 73.54 110.892 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 138.35 51.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.0 139.89 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.159 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.28 125.21 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 61.45 110.916 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -120.66 138.91 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.901 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -129.16 127.32 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -143.37 123.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 73.4 111.133 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -152.05 132.89 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.929 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 1.5 p-90 -139.26 141.0 37.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.868 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.18 130.84 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.901 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -126.47 129.98 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.834 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -164.95 134.84 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 65.42 111.119 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.72 0.295 . . . . 73.53 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.14 154.79 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 73.53 110.883 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -154.41 130.22 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.55 128.38 6.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 70.12 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -121.04 127.58 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 74.53 111.167 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.26 112.09 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.926 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 142.61 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 72.03 111.119 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -138.17 135.34 35.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.876 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 121.41 18.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.847 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -133.33 125.91 30.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.951 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -136.79 125.53 23.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -128.54 123.72 34.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.898 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -117.11 136.83 52.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 75.05 110.921 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.58 141.2 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 75.22 110.867 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.85 126.72 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.23 110.865 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 61.1 m -136.97 119.26 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.893 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 141.9 50.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.897 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.64 142.98 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 75.25 110.841 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.83 22.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.89 127.27 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.31 121.2 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 63.11 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.84 116.98 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -126.72 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 72.23 111.18 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -150.23 152.73 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -150.49 130.27 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.942 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.52 133.69 54.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.25 110.924 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -127.49 134.06 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.866 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -163.53 132.88 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.872 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.179 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 73.14 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.85 153.6 34.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -153.02 129.43 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.35 129.65 5.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.45 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -124.52 124.63 42.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 70.25 111.088 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.68 115.8 14.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.83 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 143.94 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.35 111.147 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -135.64 136.33 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.821 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.79 15.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.896 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.7 128.61 39.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.91 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -133.54 126.69 31.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 64.23 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -126.25 124.39 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.904 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.33 127.84 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 72.33 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.32 135.74 55.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 73.5 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.39 123.94 18.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.834 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 60.3 m -134.81 120.3 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.8 140.45 52.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.861 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -142.12 142.35 32.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.851 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.61 127.44 23.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 61.43 111.127 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.9 130.46 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.946 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -131.16 123.47 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 73.12 110.893 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.06 117.52 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.98 138.33 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.15 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -150.45 152.33 34.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -158.21 129.57 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.921 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -124.06 133.19 53.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 60.22 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 4.0 ptp -124.99 133.09 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.852 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -164.64 132.31 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.855 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.13 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.808 0.337 . . . . 73.11 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.95 160.8 37.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.932 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.37 162.6 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 128.02 2.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.726 -0.749 . . . . 64.21 112.48 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -121.1 134.7 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 71.4 111.106 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -140.16 112.28 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.841 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.62 141.66 51.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 70.32 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -137.55 135.0 36.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.869 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -135.64 129.73 33.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -138.77 121.43 16.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.83 131.73 53.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.835 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.0 135.41 48.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 72.12 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -135.7 129.84 33.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 73.31 110.93 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -126.88 124.13 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.73 123.62 40.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.854 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -137.98 123.96 20.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 70.14 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 145.66 47.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.835 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.7 146.08 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.835 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.98 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -142.87 134.37 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.52 112.7 7.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -109.38 136.08 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.2 110.865 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -141.21 133.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 72.15 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -139.19 121.32 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 52.22 110.862 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -118.41 132.04 56.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.71 132.17 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.922 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -128.62 133.77 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.878 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.35 146.55 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.122 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 71.04 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 161.23 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.835 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.23 160.16 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 132.41 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 64.03 112.466 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 74.12 111.115 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -140.09 114.96 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 63.22 110.902 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 140.62 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.12 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -133.82 135.33 43.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.94 127.1 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.05 110.854 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -137.71 120.52 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.937 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.77 131.35 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 64.12 110.865 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.01 136.61 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.2 110.939 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -134.28 131.15 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.91 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mp -126.17 122.69 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 63.12 110.918 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.2 122.78 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.849 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -136.98 123.02 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.885 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.35 47.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.05 143.78 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.894 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.91 143.55 43.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.104 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -140.22 135.01 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.22 110.911 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.25 112.05 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.41 136.82 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.32 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.29 129.92 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 73.14 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -139.99 116.76 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.864 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -119.06 129.99 55.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.94 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.58 132.1 48.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -129.41 130.05 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 73.14 110.919 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.85 144.66 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 72.24 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 74.01 111.125 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 73.51 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.09 151.14 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.798 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 127.57 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 75.35 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.83 138.36 10.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 65.13 112.477 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.54 120.09 19.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 75.41 111.146 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -118.52 127.58 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 22.2 p -128.89 116.09 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.19 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 25.0 p -122.3 128.81 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.893 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -128.62 127.62 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 54.21 110.831 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -129.71 130.61 45.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.886 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -136.82 141.68 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 74.22 110.816 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 135.49 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 72.22 110.907 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -129.88 121.51 26.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 61.13 110.908 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.29 127.18 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.855 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.56 115.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.822 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.87 141.28 46.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.16 150.88 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 74.12 110.819 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.79 144.9 46.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.16 123.68 13.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 74.54 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -130.81 132.42 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 72.33 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -136.41 123.71 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.822 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -142.22 142.74 32.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 m -141.74 154.96 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 74.5 111.158 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -128.62 134.75 48.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -135.79 118.4 15.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 9.7 tt -128.72 131.54 47.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.981 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 124.42 35.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 71.01 110.901 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.16 132.16 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 64.44 111.152 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.22 151.39 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 53.43 110.823 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.7 125.59 54.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.84 135.84 8.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 74.24 112.514 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.06 119.3 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 64.31 111.142 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . 0.4 ' HB3' ' CE2' ' D' ' 25' ' ' TRP . 10.3 t80 -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 74.25 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 21.5 p -126.91 116.5 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.158 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 25.1 p -122.97 123.57 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.43 110.841 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . 0.416 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 22.8 m-20 -130.57 129.26 42.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.923 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -130.4 127.73 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.968 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -136.06 145.32 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.82 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.84 137.1 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.934 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.05 121.97 34.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.64 128.68 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 73.43 110.955 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -135.19 117.66 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.812 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.85 140.02 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 70.1 110.799 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.12 148.93 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 75.11 110.886 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.36 147.61 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.883 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.83 127.36 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.03 111.077 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -129.3 131.35 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.45 110.928 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -137.77 126.69 24.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -140.63 140.74 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 11.4 m -142.5 151.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.14 111.151 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -130.33 139.41 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 72.45 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -129.27 120.52 25.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.9 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.24 128.67 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.866 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.37 126.49 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.893 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.55 130.73 53.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.835 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.14 111.189 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 74.54 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -114.35 143.68 44.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.15 110.822 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -110.41 129.59 55.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.933 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.28 138.44 9.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 73.3 112.55 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 11.6 t -128.03 134.22 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.2 111.071 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . 0.44 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 19.6 t80 -125.49 121.45 33.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.915 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 6.5 p -129.27 122.73 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.163 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -143.03 145.14 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 73.21 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -147.75 151.34 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 71.11 110.9 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -136.58 142.71 43.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.935 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -135.62 139.94 44.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 63.01 110.827 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.61 137.13 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.868 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.08 115.0 11.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.22 129.49 55.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.81 120.19 19.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.826 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.12 126.57 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.84 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 73.13 110.886 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.05 125.62 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.12 123.09 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.056 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -139.77 121.29 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 73.03 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -130.66 125.72 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -139.04 140.62 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 75.54 110.938 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.87 152.37 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.43 111.132 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.22 145.02 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 65.15 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -143.7 114.95 7.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.4 137.65 54.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 65.31 110.92 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.62 124.21 27.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.0 110.892 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.74 129.4 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.913 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.126 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.804 0.335 . . . . 71.5 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 144.5 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 72.05 110.833 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -109.34 125.5 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 71.23 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.83 135.17 6.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.49 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 7.3 t -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 75.32 111.189 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -126.78 122.48 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -125.45 124.64 41.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.146 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.77 139.59 31.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 75.12 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -151.85 152.72 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 73.15 110.912 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -135.26 140.44 45.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.96 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -136.07 138.06 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 60.22 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 139.45 39.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.12 110.904 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -135.8 116.38 13.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.968 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.13 130.26 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.33 110.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -137.05 120.54 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 72.21 110.873 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.71 127.91 39.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.858 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -125.95 124.44 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.885 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.14 128.94 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.884 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.8 123.53 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 74.13 111.112 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -136.25 122.32 20.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.98 124.79 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.806 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -138.07 141.43 40.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 4.6 m -142.25 153.39 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.141 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 148.54 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.902 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -142.0 116.46 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 138.68 54.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 71.45 110.944 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.52 125.79 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.892 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -121.68 127.37 50.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 74.41 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 56.8 p -110.04 171.12 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 75.54 110.906 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -114.21 129.31 56.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.935 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.17 138.61 10.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.49 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.3 t -125.55 125.6 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 75.14 111.233 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -121.48 121.8 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.868 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.88 131.83 53.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 71.44 111.17 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.62 124.67 20.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.871 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.24 125.7 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.905 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -123.38 127.92 49.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.902 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.58 134.24 45.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.91 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 139.7 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 75.44 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.4 123.41 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.903 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.69 125.33 44.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.926 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.26 117.38 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.884 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.62 145.39 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.867 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -144.11 143.4 31.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.839 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -140.32 131.1 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.912 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.72 123.05 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.51 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.94 122.42 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -130.57 120.61 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.13 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -140.58 142.34 35.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.912 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -141.16 153.05 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 73.4 111.159 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.13 128.91 44.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.924 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -129.38 128.59 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.56 135.49 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.941 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.67 124.67 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -124.23 134.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 75.02 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.25 111.11 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 74.24 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 56.7 p -109.52 171.13 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 75.21 110.9 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -114.28 125.8 54.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 70.22 110.942 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.79 137.0 8.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 60.44 112.518 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -127.42 126.18 41.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.02 111.152 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -119.25 121.59 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 75.21 110.853 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.59 131.58 55.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 74.34 111.131 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.31 123.95 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.45 127.19 34.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -122.2 127.57 50.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.924 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.2 136.19 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.905 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.15 142.57 47.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 70.04 110.934 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -137.89 123.18 19.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.94 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.24 124.53 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 75.12 110.919 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.95 118.93 21.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.838 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.68 141.41 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.91 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -143.82 147.22 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.856 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -149.02 131.72 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.857 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.82 123.66 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.35 111.104 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -124.77 122.04 36.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.895 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.51 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -139.65 141.49 37.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 70.4 110.864 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.68 149.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.12 111.175 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -130.5 130.37 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.899 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -125.47 129.93 50.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 62.02 110.916 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 tt -134.43 132.96 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.918 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.89 127.74 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 72.22 110.84 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -123.68 132.41 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.52 111.1 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.332 . . . . 65.4 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m -102.59 179.42 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -117.88 145.09 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 70.54 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.94 149.82 21.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 74.51 112.504 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.8 m -138.36 125.41 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.43 111.181 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -120.92 119.38 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 63.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.44 129.73 56.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.078 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.33 130.06 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.11 110.864 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -133.48 114.86 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.21 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.66 134.2 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.44 111.014 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.53 134.63 30.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.835 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 132.54 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 73.01 110.871 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.2 117.47 20.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.962 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.77 122.06 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.92 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.1 113.85 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.813 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.56 132.94 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 71.31 110.858 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.46 153.27 42.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.878 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 145.77 27.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.883 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.49 127.73 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.35 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -123.69 121.98 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -128.05 123.4 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.73 143.35 32.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.1 151.6 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.113 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 137.73 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -136.22 127.72 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt -130.5 133.9 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.907 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.21 127.72 43.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.899 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -128.2 134.22 49.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 64.51 110.88 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.073 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 73.35 110.796 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 10.8 m -102.44 179.5 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.1 110.852 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -118.78 144.29 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.81 149.37 21.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 63.41 112.472 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 3.9 m -137.2 126.75 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 71.11 111.12 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.25 119.23 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.871 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 129.79 55.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 73.41 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.18 131.29 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.849 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.32 116.2 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 74.14 110.84 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.25 134.09 52.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.897 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.79 134.56 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 54.11 110.92 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 132.98 43.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.921 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -129.59 117.69 20.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.42 123.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.14 110.877 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -135.85 112.95 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.92 135.35 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.833 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.27 154.51 43.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 72.44 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.08 146.32 27.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.11 126.84 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.35 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.97 122.78 38.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -131.68 121.98 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 64.11 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -142.3 143.34 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.807 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.24 149.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 73.3 111.107 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 136.43 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.31 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -135.07 128.94 33.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.954 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -130.94 134.27 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.36 130.95 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.861 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.59 133.41 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 75.42 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 74.53 111.214 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 75.5 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 p -130.9 150.93 51.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 54.41 110.811 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -167.44 169.04 12.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 75.34 110.923 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.81 130.22 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 74.52 112.484 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.43 121.07 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.51 111.154 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.44 112.23 16.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 m -125.53 147.14 49.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.159 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -146.77 134.64 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 61.31 110.817 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.61 133.61 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -143.75 125.47 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.925 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.04 143.85 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 72.42 110.834 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -147.1 145.3 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 75.4 110.821 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -140.91 134.34 29.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.26 125.39 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 75.41 110.948 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -127.28 122.82 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.848 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.65 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.926 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.84 131.95 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.886 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -128.31 128.65 45.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.77 137.49 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 71.02 111.098 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.59 124.1 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 75.11 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -119.08 124.47 46.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.58 123.56 39.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.914 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -138.63 123.04 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -129.03 148.17 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.894 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -147.63 135.41 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -131.57 145.01 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 75.01 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.7 ptp -133.07 144.08 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.12 110.908 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -152.65 157.29 40.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.134 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 62.35 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -131.32 152.87 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.895 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -165.7 165.43 18.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.24 133.95 3.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 74.3 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.2 p -123.82 119.48 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 71.34 111.058 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -127.22 117.55 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 m -119.01 149.06 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 74.23 111.126 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -141.47 135.55 30.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.12 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.72 133.5 36.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 64.32 110.764 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -142.87 127.89 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.829 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.7 144.47 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 75.23 110.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -144.88 148.5 33.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.911 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -137.72 133.86 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.911 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.91 122.78 38.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 73.44 110.899 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.07 124.06 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.89 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.54 119.8 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 51.11 110.926 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.04 129.14 51.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 72.33 110.857 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -131.26 129.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.02 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.73 135.79 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 72.15 111.092 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -133.32 124.71 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.23 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.06 126.46 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.834 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.68 124.01 41.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.46 122.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 63.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.15 148.65 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 71.33 110.885 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -146.61 134.21 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.938 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.17 144.83 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptp -132.75 143.21 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.84 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -152.15 157.88 42.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.12 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.774 0.321 . . . . 74.02 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.59 149.89 52.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 52.21 110.825 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . 0.408 ' NE2' HD21 ' I' ' 128' ' ' ASN . 4.3 tp60 -164.43 135.84 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.34 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.71 128.32 5.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 73.44 112.47 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -125.93 117.92 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 74.52 111.134 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -125.08 119.9 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -129.22 147.11 51.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 70.32 111.154 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 5.1 t -139.87 135.04 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -135.72 128.34 30.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 72.12 110.872 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -136.69 122.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.976 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.74 133.17 45.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.865 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.27 140.44 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.895 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -134.58 137.49 43.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 70.31 110.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -127.96 121.48 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.934 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -126.86 123.17 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.3 110.809 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -134.72 121.3 20.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -126.29 134.59 51.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.882 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -129.26 135.95 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.885 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.12 131.4 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 111.096 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.87 125.39 29.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.35 110.911 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.47 128.02 43.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -124.0 124.36 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.49 119.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.31 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.51 121.96 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -117.72 129.73 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.53 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.5 136.8 46.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.903 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.73 132.44 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.853 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -160.45 145.71 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 70.42 111.168 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.813 0.34 . . . . 75.44 110.865 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.33 149.23 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.859 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.19 130.49 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.889 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.77 129.82 5.44 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 61.23 112.45 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -122.57 117.1 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 72.45 111.174 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.71 119.46 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -123.7 146.51 48.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.084 -0.507 . . . . 73.24 111.111 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 t -137.72 135.12 36.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.832 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.41 127.42 25.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 75.34 110.867 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -135.75 122.07 20.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.957 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 133.84 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.853 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.6 141.05 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 74.24 110.897 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.5 137.04 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mp -129.19 121.48 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.928 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -125.86 124.29 40.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.869 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -134.13 119.62 19.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.865 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -125.65 134.0 52.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 73.54 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -130.79 136.14 48.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.24 131.55 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.159 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.55 126.96 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 61.45 110.843 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.91 130.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.901 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.26 124.41 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 72.3 110.832 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -136.66 117.71 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 73.4 111.138 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.33 117.04 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.915 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -118.71 131.34 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.969 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.16 139.24 46.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.897 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 129.71 25.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.912 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -164.2 144.93 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 65.42 111.173 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.75 0.31 . . . . 73.53 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -144.44 153.01 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 73.53 110.876 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -168.81 133.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 126.1 6.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 70.12 112.467 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -129.86 122.67 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 74.53 111.185 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.72 113.38 17.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.852 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 72.03 111.085 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t -133.15 134.6 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 72.42 110.873 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.58 122.27 23.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.87 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -125.39 122.62 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.34 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.69 131.7 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 75.3 110.881 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -145.19 121.23 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.17 124.61 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 75.05 110.929 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.99 112.91 24.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.22 110.876 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -119.3 122.21 41.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.909 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -136.43 139.51 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 74.13 110.841 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -141.16 137.42 32.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.519 . . . . 74.13 110.806 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -129.5 125.81 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.63 135.79 53.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.089 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.45 124.2 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.22 122.26 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 63.11 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -113.65 132.17 55.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.921 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.39 122.02 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 135.97 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 74.03 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.7 p-90 -136.86 141.46 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.88 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -120.75 129.45 53.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.939 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.6 ptp -122.48 134.02 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.839 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.23 140.03 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.34 110.968 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.18 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 73.14 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -143.64 154.72 43.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.43 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -162.85 130.3 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 72.44 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.66 129.69 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 63.31 112.456 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -123.13 119.32 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 70.25 111.119 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -127.85 115.07 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.97 139.43 50.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.35 111.121 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.8 t -131.9 134.63 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.54 110.868 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.85 120.02 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 64.31 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -124.22 120.11 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.899 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.16 131.56 53.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 64.23 110.808 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -144.94 122.95 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 63.31 110.875 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 122.38 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 72.33 110.929 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.07 112.96 24.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 73.5 110.96 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -117.76 122.07 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.9 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -135.14 139.6 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.857 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -140.95 133.96 29.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.857 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -129.93 125.85 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.13 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.77 135.04 54.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 61.43 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.56 124.87 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.855 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.1 123.95 29.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 73.12 110.823 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -113.07 132.01 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.888 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.7 t -142.62 123.25 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.156 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.32 132.0 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -136.31 138.88 42.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 73.42 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 60.22 110.946 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -121.55 130.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.834 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.85 139.66 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.14 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.756 0.312 . . . . 73.11 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -145.81 158.16 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.882 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -167.18 169.3 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.926 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.28 128.08 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.765 . . . . 64.21 112.46 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -124.72 121.24 34.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 71.4 111.126 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -125.8 116.05 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.845 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.33 141.89 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 70.32 111.114 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -136.12 135.14 39.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.897 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.39 129.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -132.83 129.5 38.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.954 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.14 131.53 48.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.799 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' O' ' 118' ' ' ARG . 0.0 OUTLIER -141.17 122.08 14.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 72.12 110.873 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.04 127.71 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.99 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.54 112.6 23.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.898 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -118.19 121.91 41.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.37 137.28 37.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 70.14 110.915 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -140.35 136.9 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 75.21 110.853 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 134.27 47.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.846 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.79 135.24 51.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.22 111.048 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -139.97 131.87 27.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 72.25 110.892 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.89 134.96 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.2 110.927 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 28.6 t -145.77 117.42 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 72.15 111.09 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.44 135.34 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.933 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . 0.476 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 10.0 p-90 -137.9 138.48 39.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 71.51 110.92 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.98 125.42 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.0 132.56 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 72.01 110.874 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.78 148.82 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.834 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.01 111.149 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.748 0.309 . . . . 71.04 110.784 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -145.63 159.15 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.783 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.15 165.7 19.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.3 130.36 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 64.03 112.425 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -119.47 119.78 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.12 111.175 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -127.0 117.64 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.863 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -124.26 141.48 52.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.089 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -132.87 135.22 45.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.828 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.01 126.52 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 74.05 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -132.41 126.77 33.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.829 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.49 130.66 49.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 64.12 110.841 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 123.96 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.927 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 mp -114.38 113.57 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 63.12 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -118.23 122.88 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.6 136.85 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.875 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -141.05 136.96 32.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 75.53 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.01 44.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 72.22 110.886 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.95 135.43 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.33 111.136 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -140.0 133.03 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 74.22 110.899 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -141.02 142.56 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -129.53 136.94 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.898 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -145.6 118.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 73.14 111.094 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.07 127.94 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.939 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -139.05 136.93 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.52 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -125.19 123.93 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.945 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 130.29 52.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.14 110.842 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.02 149.27 7.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 72.24 110.9 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.01 111.196 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.738 0.304 . . . . 73.51 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 26.3 p -147.88 163.79 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 72.01 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -107.34 127.08 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 75.35 110.914 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.49 139.08 10.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 65.13 112.5 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.8 118.73 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 75.41 111.11 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -119.95 125.2 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.02 120.48 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.239 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.4 127.39 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.82 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.38 137.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 54.21 110.818 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -135.48 127.7 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.934 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -120.69 134.37 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.842 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -130.67 129.28 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -132.53 116.11 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 61.13 110.961 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.75 126.09 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.915 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -135.03 109.86 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 70.42 110.892 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.66 133.59 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 73.32 110.852 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -138.96 139.76 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.845 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.75 149.26 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.849 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.0 123.47 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 74.54 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.73 128.7 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.33 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.08 131.18 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.85 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -146.19 143.63 29.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 74.35 110.889 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.78 158.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.191 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.85 135.88 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -135.39 114.09 11.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 72.42 110.914 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 tt -120.06 131.45 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.924 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -127.23 126.48 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.01 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . 0.408 HD21 ' NE2' ' C' ' 3' ' ' GLN . 3.3 t-20 -127.26 139.4 52.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.41 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 64.44 111.21 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.863 0.363 . . . . 75.31 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 26.1 p -148.15 164.06 35.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 53.43 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -106.96 126.13 51.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.51 138.28 9.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 74.24 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.32 119.2 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 64.31 111.098 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -121.48 123.54 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.46 118.84 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.188 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.83 124.47 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 71.43 110.894 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.81 141.19 36.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.871 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -134.66 127.59 31.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.986 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -118.15 135.01 54.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 64.41 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -131.57 129.84 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -129.64 117.14 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.886 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.57 126.3 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.925 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.34 111.24 10.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.859 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.96 129.83 42.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 70.1 110.861 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -142.12 140.25 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.856 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.92 151.05 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.936 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.75 125.16 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.065 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.9 128.7 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.45 110.92 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.58 134.72 37.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -144.8 141.7 29.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 17.0 m -139.51 156.16 26.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 74.14 111.11 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -138.56 139.97 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 72.45 110.853 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -131.14 115.41 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 tt -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.923 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -127.48 130.22 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.833 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -126.12 137.04 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 62.14 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 74.54 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -154.42 169.76 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.886 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.05 126.84 47.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.21 110.922 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.33 136.56 8.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 73.3 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 13.2 m -131.38 137.91 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 75.2 111.111 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -134.85 110.72 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.884 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 4.8 m -109.5 118.87 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 71.51 111.114 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.83 127.56 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.2 138.17 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.843 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.64 127.79 39.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.868 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -129.31 134.23 47.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 63.01 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.16 133.64 39.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.859 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -132.37 115.58 15.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.32 114.58 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.956 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.58 113.39 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.83 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 18.5 p -131.12 129.99 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.15 110.859 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -137.73 137.65 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.13 110.792 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.35 143.4 50.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.95 122.85 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.24 111.109 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.03 125.34 29.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.03 110.872 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -132.81 120.89 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -135.72 141.68 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 75.54 110.861 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 4.3 m -142.0 156.13 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.43 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -133.1 138.81 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 65.15 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -135.92 110.86 8.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.95 128.09 54.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 65.31 110.872 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.33 124.03 40.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -124.7 139.1 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.836 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 111.145 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.5 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -154.34 169.44 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 72.05 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 126.31 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 71.23 110.877 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.88 135.05 7.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.82 -0.705 . . . . 72.55 112.511 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 5.8 m -131.29 132.73 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.32 111.159 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -130.62 109.32 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.53 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 4.6 m -107.84 117.37 33.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.181 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 124.54 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.843 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.29 138.52 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.804 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -130.04 127.6 40.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.858 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -128.71 134.65 48.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 60.22 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 133.84 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -130.1 115.25 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -117.97 114.84 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 75.33 110.87 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.21 114.26 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 72.21 110.855 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 17.6 p -129.88 130.0 44.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.807 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -137.4 135.06 36.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.34 110.815 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.78 145.17 50.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.929 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.66 126.18 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.103 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.46 126.43 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -133.39 121.6 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -134.51 138.02 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.91 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 7.6 m -142.48 152.75 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.41 111.157 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -136.71 141.32 43.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 114.94 13.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.51 127.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.45 110.899 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.66 126.79 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.857 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -121.22 136.92 54.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.181 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.832 0.349 . . . . 74.41 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.26 176.37 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 75.54 110.876 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -119.48 130.65 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.41 110.925 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.4 138.84 9.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 75.2 112.497 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 12.1 t -126.18 130.55 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 75.14 111.128 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . 0.45 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 21.2 t80 -121.45 118.16 28.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.86 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -125.31 121.87 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.115 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -139.25 142.48 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.895 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.23 131.36 19.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.51 132.33 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.923 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.75 137.46 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.41 110.861 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.51 135.27 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.924 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -128.54 121.13 28.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.1 110.916 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.83 125.05 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 75.11 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.15 122.63 30.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.971 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -132.69 129.79 39.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.856 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -131.11 125.05 32.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.918 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.82 119.83 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.915 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.12 122.79 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 70.51 111.05 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -142.84 121.45 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -128.25 125.92 39.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -139.54 143.98 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.856 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 6.3 m -140.99 155.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.4 111.176 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -129.15 133.27 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.24 109.39 11.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.48 114.86 25.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.923 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.11 122.44 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.943 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -122.24 136.79 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.02 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.197 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.24 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.59 176.58 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.821 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -118.98 129.99 55.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 70.22 110.865 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.71 137.39 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 60.44 112.511 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 15.0 t -129.7 130.54 45.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 73.02 111.119 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -122.55 118.16 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 75.21 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 2.7 m -118.95 123.66 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.34 111.13 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -141.11 138.91 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.826 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -146.95 132.28 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 72.32 110.83 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -120.16 129.68 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.868 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.98 137.25 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.35 110.818 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.47 135.74 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 70.04 110.898 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.48 121.63 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.966 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.52 125.67 49.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.97 119.46 21.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.55 110.875 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 13.1 m -134.41 131.99 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.846 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -131.34 124.16 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 72.34 110.89 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.21 120.55 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.86 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.9 124.66 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 73.35 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -138.0 124.77 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.54 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.25 124.46 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -136.27 142.85 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 70.4 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.7 m -141.82 152.76 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.117 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -132.26 133.66 44.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.861 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 108.91 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 62.02 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.43 116.78 28.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 73.2 110.929 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -117.56 128.27 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.872 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -118.83 134.41 55.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 71.52 111.17 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.321 . . . . 65.4 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.3 p -120.7 177.7 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.82 147.23 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 70.54 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.63 137.23 5.57 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 74.51 112.463 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 15.3 t -129.13 131.37 47.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 74.43 111.206 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 37.1 t80 -123.46 123.35 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 63.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.55 121.97 28.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 75.32 111.136 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 142.25 36.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.2 154.28 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -143.14 140.17 30.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.957 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -147.12 139.47 24.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.31 110.875 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 141.82 36.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 73.01 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -134.91 124.24 24.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.35 126.74 46.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 73.24 110.884 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.07 126.66 32.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.902 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 126.29 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 71.31 110.828 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.26 126.12 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 75.43 110.896 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' G' ' 12' ' ' LYS . 5.5 mtt180 -112.12 119.47 38.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.963 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.78 122.29 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.115 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.91 121.0 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.984 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -128.0 125.12 38.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.44 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.96 141.87 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.29 152.11 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.163 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 136.57 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.879 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -134.23 113.81 12.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 73.3 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 8.3 tt -117.1 132.01 56.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.94 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 2.7 mmt -124.78 136.68 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.903 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.02 137.0 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 64.51 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 72.32 111.131 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 73.35 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 83.2 p -120.51 178.37 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 64.1 110.88 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.53 146.02 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.864 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.36 138.56 6.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 63.41 112.529 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 13.7 t -129.97 131.29 45.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 71.11 111.204 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -122.01 124.23 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.859 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.36 121.52 27.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 73.41 111.181 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 4.1 m -140.85 141.64 34.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.837 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.97 154.52 45.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.923 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -144.41 137.42 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.872 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 23.0 t -148.26 137.55 22.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 54.11 110.861 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.61 140.34 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.929 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -134.7 123.66 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.04 127.8 50.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.936 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.95 124.9 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.34 110.884 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 127.33 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.838 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.17 124.31 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 72.44 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -113.43 119.39 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 72.22 110.881 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -124.13 123.53 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 72.35 111.121 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 124.82 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.874 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.2 122.85 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.935 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.905 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -142.83 148.0 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.152 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.74 134.14 47.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.908 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.24 114.67 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 tt -118.14 130.22 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 63.44 110.939 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.8 mmt -125.66 136.93 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.916 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.0 135.77 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.53 111.126 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 75.5 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -148.15 161.8 40.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 54.41 110.884 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -165.91 165.31 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 75.34 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.6 142.23 7.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 74.52 112.546 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -131.57 138.03 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 73.51 111.13 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -135.74 111.78 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 65.33 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 m -128.54 147.63 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.124 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 t -146.46 135.45 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 61.31 110.833 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -144.61 126.2 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.849 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -145.44 133.71 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -133.45 142.54 48.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 72.42 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 140.76 47.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.854 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -141.68 126.72 18.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.911 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -125.7 129.7 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.41 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -135.33 122.88 22.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 75.53 110.867 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 p -130.3 127.3 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.852 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -123.65 139.27 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 74.4 110.931 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -139.06 119.87 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.42 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.01 144.15 47.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 71.02 111.146 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -135.48 124.11 23.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 75.11 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.0 124.42 50.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.57 122.25 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.815 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.62 135.37 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -130.32 134.7 47.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -138.75 129.88 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.02 150.15 51.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 75.01 110.923 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 150.08 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.894 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.71 176.78 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.142 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 62.35 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -148.22 162.18 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.912 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -164.25 161.41 21.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.944 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.29 142.83 8.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 74.3 112.542 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -132.37 136.12 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 71.34 111.154 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -138.54 115.47 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.0 m -123.3 147.41 47.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.127 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -143.11 137.71 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 73.12 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -144.99 121.34 10.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.938 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -146.21 134.63 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.941 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -132.04 147.96 52.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.862 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 75.41 110.881 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -138.56 125.72 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.884 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.94 129.34 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -136.41 123.64 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.827 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -127.54 128.95 46.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -122.35 136.94 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -142.93 123.35 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.7 143.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.15 111.09 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -135.62 127.37 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 63.23 110.916 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 128.56 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.69 123.03 34.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -138.97 130.18 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.43 111.172 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -134.12 140.01 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.946 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -136.55 130.26 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.63 148.59 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 75.51 110.953 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.57 149.58 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.906 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.97 176.44 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 70.24 110.921 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.121 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.725 0.298 . . . . 74.02 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.31 154.1 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 52.21 110.871 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -155.56 148.88 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 127.7 3.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.665 -0.779 . . . . 73.44 112.418 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -122.67 125.9 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 74.52 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -122.4 112.16 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.9 140.27 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 70.32 111.127 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.15 135.12 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.838 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.5 123.85 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 72.12 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.97 135.18 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.935 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -132.14 144.08 50.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.838 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.75 140.39 42.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.864 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -142.53 127.17 18.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 70.31 110.907 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.17 130.25 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 72.14 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -132.55 122.94 25.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.831 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 71.0 m -131.9 120.49 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.886 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -116.23 133.91 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.53 110.807 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.49 123.5 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.858 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.0 133.3 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 70.32 111.178 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.76 124.15 27.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.239 -0.437 . . . . 74.35 110.879 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -122.39 128.8 51.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 74.32 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.24 117.42 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.6 138.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.31 111.166 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -139.99 139.77 36.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -137.7 128.94 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -120.78 134.55 55.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 74.55 110.94 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.8 ptp -129.01 135.08 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -162.09 139.97 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 97.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 70.42 111.102 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.765 0.317 . . . . 75.44 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.21 153.47 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.842 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -153.96 145.67 23.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 130.62 3.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.23 112.493 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -119.06 123.21 43.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.45 111.094 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -123.11 113.13 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.873 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.88 138.4 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 73.24 111.138 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.57 134.57 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.841 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.39 121.32 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 75.34 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.96 132.22 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.953 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -134.18 147.89 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.52 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.45 143.96 49.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.926 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -139.6 122.92 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.991 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.09 129.79 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.876 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.35 123.59 25.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.955 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -129.32 120.48 25.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -117.06 133.02 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.54 110.861 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.01 122.68 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.73 133.42 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.062 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 124.28 26.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 61.45 110.913 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -120.19 131.26 54.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -132.75 116.33 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 72.3 110.862 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -129.58 136.72 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 73.4 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -144.02 140.92 29.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 75.33 110.85 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -139.21 129.74 25.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -120.81 132.01 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.45 110.924 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 4.3 ptp -127.4 130.68 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.919 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -164.64 139.91 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 75.02 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 65.42 111.128 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 73.53 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.51 149.71 41.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.53 110.844 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -146.76 149.08 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 74.24 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.4 128.1 3.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 70.12 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -124.68 129.75 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 74.53 111.127 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -123.43 111.34 16.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.53 137.31 53.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.12 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -139.08 134.74 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.903 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -137.26 133.07 34.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 72.35 110.803 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -140.13 127.91 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.92 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 135.99 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.866 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -137.27 126.26 24.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 74.53 110.893 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.97 118.3 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 75.05 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.45 114.76 28.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.73 121.95 44.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 64.23 110.876 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -135.3 138.8 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 74.13 110.874 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.14 140.65 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.922 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.16 143.67 42.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.9 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.56 137.71 48.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.44 111.172 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.31 126.72 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.86 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -132.57 129.78 39.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 63.11 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.04 124.49 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.894 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 t -135.53 134.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 72.23 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.16 125.0 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.896 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -121.44 131.71 54.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.29 132.56 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 73.25 110.947 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -127.94 134.52 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 74.3 110.9 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -162.23 140.99 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.873 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.13 111.22 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.744 0.307 . . . . 73.14 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.66 149.55 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 74.43 110.862 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -143.97 143.86 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.893 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 130.31 3.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.746 -0.74 . . . . 63.31 112.472 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.22 127.81 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 70.25 111.084 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -122.78 112.23 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.61 135.81 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.177 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -133.6 134.77 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.54 110.867 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -140.77 129.72 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 64.31 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -141.5 127.61 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.99 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.76 135.75 49.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -138.43 125.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 63.31 110.883 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.73 119.44 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.93 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.98 113.72 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 73.5 110.909 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.44 122.92 47.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -134.32 138.53 45.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.837 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.32 141.04 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.32 110.895 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.23 144.22 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 73.13 110.886 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.31 136.42 48.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 61.43 111.119 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 128.08 30.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.901 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -130.83 131.06 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 73.12 110.802 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.36 123.55 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.92 133.69 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 74.15 111.161 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.46 121.86 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.904 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' TRP . . . . . 0.427 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 17.3 t-105 -122.16 129.0 51.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.946 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -125.76 132.12 52.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 60.22 110.937 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' MET . . . . . 0.427 ' HB3' ' CZ2' ' F' ' 25' ' ' TRP . 2.9 ptp -129.51 131.5 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.891 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -160.96 140.92 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.874 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 73.51 111.172 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.883 0.373 . . . . 73.11 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.57 153.26 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.895 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.94 155.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.95 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.63 128.02 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.804 -0.712 . . . . 64.21 112.537 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.7 133.2 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 71.4 111.184 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.83 111.39 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.88 139.8 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 70.32 111.191 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.49 134.68 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.909 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.22 113.46 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -118.45 126.26 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.97 132.12 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 72.4 110.835 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.94 128.08 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.12 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.02 127.07 35.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.93 113.69 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 75.03 110.938 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.6 120.67 40.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -137.53 142.4 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 70.14 110.841 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -147.76 148.85 31.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.21 110.925 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -138.75 143.86 39.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.97 135.32 46.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.114 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.42 129.59 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -132.09 131.74 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.872 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.73 128.47 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.934 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.12 122.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.149 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.84 137.76 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' TRP . . . . . 0.475 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 5.4 p-90 -139.36 143.51 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -126.36 124.66 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.25 110.88 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.42 132.63 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.876 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.58 160.81 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.53 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.119 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 71.04 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.25 152.51 39.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.842 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.95 151.9 37.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 128.42 2.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 64.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -123.56 130.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 74.12 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -131.13 112.74 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.902 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.27 138.6 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 74.23 111.196 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.9 134.89 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.906 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.56 110.88 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.848 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -118.19 125.86 51.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.55 110.914 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.87 130.48 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 64.12 110.864 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -138.15 129.52 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.2 110.899 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 126.15 31.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 mp -116.03 115.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 63.12 110.959 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -114.14 121.75 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.843 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -135.84 141.53 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 72.13 110.887 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.13 148.59 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 75.53 110.897 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -138.17 143.19 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.2 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.39 132.56 42.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.22 110.886 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.3 132.17 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.851 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.09 130.33 37.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.899 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -145.34 123.53 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 73.14 111.086 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -150.54 135.19 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.914 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -144.89 142.02 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 71.52 110.943 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -129.8 121.94 27.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.879 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.04 130.65 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.14 110.946 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -166.06 160.84 16.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 72.24 110.879 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 74.01 111.114 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 17.8 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 73.51 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.0 p -164.99 154.69 13.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.854 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -102.7 127.48 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 75.35 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.08 9.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 65.13 112.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.41 131.54 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 75.41 111.104 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -129.16 123.25 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.83 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.75 126.59 52.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.43 111.146 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 5.0 p -128.58 124.26 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 74.43 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -148.4 143.54 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 54.21 110.824 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -150.25 140.8 22.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.913 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -123.43 146.61 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.821 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.98 128.3 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -127.95 133.83 49.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 61.13 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.92 116.97 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.869 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.83 112.16 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.894 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 30.1 p -124.54 123.07 39.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.32 110.866 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -137.8 135.56 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 75.53 110.902 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.35 126.98 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.056 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -118.84 122.63 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.935 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -126.97 123.52 37.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 74.24 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -146.01 146.65 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.841 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 123' ' ' VAL . . . . . . . . . . . . . 23.4 m -141.29 163.09 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.5 111.071 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -133.87 135.09 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.3 131.89 40.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 126' ' ' LEU . . . . . . . . . . . . . 8.0 tt -129.74 135.65 48.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 1.4 mmt -134.68 125.75 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 71.01 110.909 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -132.62 139.53 47.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 72.41 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 64.44 111.114 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 17.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 75.31 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.3 p -164.99 155.06 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.836 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -103.96 125.99 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.03 136.45 8.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.526 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 129.56 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 64.31 111.187 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -130.35 120.97 25.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 74.25 110.952 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.95 125.17 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.105 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -129.44 124.6 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.43 110.852 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -145.44 148.24 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.814 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -146.78 138.78 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.14 110.901 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -122.92 145.34 48.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.902 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 128.52 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -124.35 134.25 53.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.1 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.52 116.87 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.43 110.6 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.41 110.827 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 29.6 p -126.27 122.25 34.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 70.1 110.869 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -138.71 136.09 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 75.11 110.922 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.31 150.0 49.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.88 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.77 130.04 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.127 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -116.47 124.5 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.913 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.98 124.54 42.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -147.76 142.73 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.852 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.07 158.48 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -138.49 135.65 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 72.45 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.47 133.57 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.9 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 8.1 tt -129.29 135.39 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 73.31 110.852 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 1.4 mmt -134.29 129.63 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 73.4 110.919 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -131.87 137.95 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 62.14 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.152 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 74.54 110.819 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 64.6 p -164.98 143.68 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.862 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.85 127.89 54.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 75.21 110.915 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.7 139.17 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 73.3 112.435 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 9.9 m -127.96 122.48 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 75.2 111.123 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -118.04 119.58 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.9 t -120.63 133.79 55.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.098 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.3 124.61 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 140.65 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 71.11 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -138.46 142.97 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.918 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.25 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -132.94 129.3 38.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.88 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.1 114.95 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 110.02 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.874 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.8 109.86 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 71.24 110.83 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.02 129.58 45.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.846 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.72 145.11 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.84 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 147.83 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.37 129.64 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 71.24 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.33 123.11 40.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.902 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.95 125.17 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.879 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.38 146.07 30.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 75.54 110.847 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 123' ' ' VAL . . . . . . . . . . . . . 10.4 m -145.84 156.96 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 71.43 111.143 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -131.31 141.22 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.15 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -135.81 119.35 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.869 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.69 125.64 54.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 65.31 110.984 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -123.04 125.15 44.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 74.0 110.909 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.13 129.88 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.927 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.02 111.19 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 71.5 110.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.15 143.29 6.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.833 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.42 125.57 51.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.885 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.7 136.25 7.91 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 72.55 112.533 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 11.5 m -129.93 120.78 25.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 75.32 111.17 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -118.05 117.41 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.842 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.7 t -121.28 131.25 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.32 111.179 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.48 124.47 21.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.824 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.93 141.55 47.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.15 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -137.21 142.66 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.906 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.27 135.06 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 60.22 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -132.09 128.35 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.899 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.37 114.74 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.81 111.67 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 75.33 110.888 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.29 109.64 18.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.905 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.55 129.68 46.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.44 110.851 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.55 139.95 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.845 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.42 149.82 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.887 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.67 131.0 19.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.33 123.14 42.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.43 110.949 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.82 129.9 51.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 72.51 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -146.36 145.43 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 12.0 m -145.75 154.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.41 111.174 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.85 140.51 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.23 120.09 18.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 7.3 tt -113.6 126.4 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.94 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -121.28 128.29 52.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.888 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -128.07 128.92 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 75.33 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.152 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 74.41 110.846 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 59.4 p -163.33 148.39 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.909 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.19 129.44 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.872 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.43 138.98 10.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.746 . . . . 75.2 112.522 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.11 122.76 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 75.14 111.157 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -118.37 112.74 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 20.4 p -115.79 119.63 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -129.77 130.87 45.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -139.25 138.0 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -136.03 146.39 47.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.933 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.46 141.08 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 65.41 110.848 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.4 134.98 44.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.861 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -129.55 117.07 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.3 123.84 42.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.857 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.69 110.87 11.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.872 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -130.26 125.25 34.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 134.28 46.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.882 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 129.54 51.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.24 110.865 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.76 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.51 111.154 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -135.21 122.11 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.0 130.2 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -145.95 146.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 123' ' ' VAL . . . . . . . . . . . . . 10.6 m -142.86 155.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 73.4 111.122 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.43 139.94 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.934 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -130.6 121.35 25.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.3 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 126' ' ' LEU . . . . . . . . . . . . . 6.5 tt -109.39 125.95 52.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.929 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -124.64 124.85 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 72.24 110.877 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -130.69 134.78 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 75.02 110.917 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.25 111.147 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.755 0.312 . . . . 74.24 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 58.9 p -163.39 148.54 11.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 75.21 110.903 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -111.94 127.16 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.09 136.78 7.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.695 -0.764 . . . . 60.44 112.44 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.59 122.07 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 73.02 111.134 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -119.15 111.86 18.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 19.9 p -113.49 118.95 35.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 74.34 111.13 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 15.5 p -129.29 128.0 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 72.51 110.824 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.81 138.78 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -134.19 146.31 50.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 75.11 110.876 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.69 141.01 29.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 74.35 110.84 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -134.13 138.45 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 70.04 110.871 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.17 118.32 25.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.94 122.24 41.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 75.12 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.18 109.08 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.55 110.917 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 7.4 p -130.55 126.52 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.86 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 129.68 44.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 72.34 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.16 128.7 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 72.32 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.76 132.62 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.35 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -131.03 123.84 29.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.882 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.67 129.87 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.821 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -144.64 144.69 31.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.965 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.21 152.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.155 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.49 138.49 39.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -130.52 120.6 24.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 62.02 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 126' ' ' LEU . . . . . . . . . . . . . 6.4 tt -111.74 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.933 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -125.39 127.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 72.22 110.88 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -130.61 134.67 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 74.23 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.52 111.161 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 m170 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 65.4 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -76.17 143.19 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.855 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 147.27 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 70.54 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -154.45 136.53 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 74.51 112.51 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.38 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 74.43 111.105 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 106' ' ' PHE . . . . . 0.475 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 33.5 t80 -129.23 128.9 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 63.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -137.82 125.04 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.32 111.16 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 11.9 p -142.64 145.72 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 73.11 110.889 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.78 157.98 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.843 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -147.44 144.24 28.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.915 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.43 141.76 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 65.31 110.892 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.03 128.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 73.01 110.916 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.68 124.49 44.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 75.33 110.894 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.3 120.28 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 73.24 110.882 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -129.47 112.27 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.858 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 122.12 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 71.31 110.919 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 130.8 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.835 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.95 119.36 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.24 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.119 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.03 122.41 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 75.02 110.878 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.02 126.68 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.853 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -137.05 144.46 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.841 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 123' ' ' VAL . . . . . . . . . . . . . 10.6 m -142.81 157.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.187 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -134.79 140.8 46.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.13 123.3 24.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 73.3 110.936 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 126' ' ' LEU . . . . . . . . . . . . . 6.4 tt -115.54 130.4 56.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.889 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -129.63 124.98 35.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.94 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.72 131.9 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 64.51 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.136 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 47.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.822 0.344 . . . . 73.35 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 5.4 m -75.3 142.56 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 64.1 110.803 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 146.6 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.11 110.899 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.37 138.7 6.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 63.41 112.524 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.04 135.15 49.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 71.11 111.164 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.58 129.22 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -136.7 125.63 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.41 111.207 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 12.2 p -144.26 144.66 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.34 158.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -147.69 143.47 27.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.11 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 54.11 110.847 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.93 128.24 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 73.41 110.896 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -121.74 125.49 46.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.02 120.95 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 75.14 110.857 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -131.86 109.88 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.86 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.28 123.35 37.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 73.24 110.826 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.95 130.94 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.902 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.79 120.01 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.813 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.63 123.48 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.35 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.49 124.85 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 74.33 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.88 124.09 28.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 64.11 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -135.59 143.95 45.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.864 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.97 155.24 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 73.3 111.112 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -135.83 139.95 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -131.61 124.24 29.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 74.53 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 126' ' ' LEU . . . . . . . . . . . . . 6.2 tt -118.08 128.22 54.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 63.44 110.946 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -128.66 128.74 44.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.881 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.75 132.46 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 75.42 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.159 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.784 0.326 . . . . 65.120000000000005 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.21 121.3 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.019999999999996 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 m -133.49 124.87 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 111.142 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.4 p -127.94 134.76 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 54.539999999999999 110.878 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.23 129.97 34.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 74.040000000000006 110.838 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -143.87 121.71 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.409999999999997 110.915 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 130.51 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 65.329999999999998 110.873 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HG3' ' HB2' ' I' ' 119' ' ' ALA . 0.0 OUTLIER -137.51 136.03 37.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.400000000000006 110.916 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.88 143.5 50.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.099999999999994 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' I' ' 117' ' ' ARG . 2.9 tp -134.09 115.49 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 74.25 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -118.35 125.09 49.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.530000000000001 110.849 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -132.48 143.35 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.838 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -143.19 135.15 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 72.349999999999994 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -129.89 128.5 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 65.109999999999999 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.86 142.0 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 35.140000000000001 111.064 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.48 124.06 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.12 135.74 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.64 127.78 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.019999999999996 110.923 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -135.92 116.94 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 74.230000000000004 111.133 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -145.07 139.11 27.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.120000000000005 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -149.45 141.68 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 110.922 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.787 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.1 pp -136.59 137.06 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 63.020000000000003 110.875 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.44 136.74 50.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.864 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.25 176.88 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.909 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 111.168 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.813 0.339 . . . . 62.350000000000001 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -153.46 164.6 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.889 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -166.86 167.18 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 130.35 2.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.703 -0.761 . . . . 64.319999999999993 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.715 ' CG2' HD12 ' J' ' 126' ' ' LEU . 2.0 p -122.61 138.7 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 54.210000000000001 111.147 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 126.32 20.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 74.209999999999994 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' HB3' ' J' ' 124' ' ' GLN . 11.3 m -128.81 127.42 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 60.420000000000002 111.118 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -126.19 135.54 51.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 72.099999999999994 110.81 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 131.24 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 64.319999999999993 110.859 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -139.95 125.19 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 75.430000000000007 110.887 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 134.58 38.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 74.519999999999996 110.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 139.7 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.48 140.46 51.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.932 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' J' ' 117' ' ' ARG . 4.2 tp -136.15 113.55 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.439999999999998 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -122.0 123.15 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.349999999999994 110.83 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -131.19 143.79 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 51.109999999999999 110.853 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -142.55 131.68 23.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.925 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -132.39 129.72 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.87 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -127.32 140.38 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.150000000000006 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.94 123.93 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 63.229999999999997 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -119.17 135.91 54.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.845 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.78 125.71 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -138.59 120.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 55.240000000000002 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -139.11 142.09 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.915 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -144.47 138.59 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.58 137.84 42.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.510000000000005 110.948 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.81 136.41 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.875 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.541 HD21 ' N ' ' B' ' 29' ' ' THR . 0.3 OUTLIER -156.84 177.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 70.239999999999995 110.865 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.541 ' N ' HD21 ' B' ' 28' ' ' ASN . 8.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.100000000000001 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 72.209999999999994 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.74 160.98 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 51.539999999999999 110.832 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -160.55 136.63 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 63.009999999999998 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.17 128.54 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 55.020000000000003 112.5 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.98 HG22 HD12 ' I' ' 126' ' ' LEU . 16.6 p -127.44 116.65 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 71.150000000000006 111.136 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -123.57 143.56 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 75.109999999999999 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.8 151.07 35.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 70.319999999999993 111.144 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.65 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -145.48 134.44 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.87 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 122.57 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.872 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -132.35 122.63 25.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.917 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 138.38 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 64.409999999999997 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 137.81 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 75.140000000000001 110.939 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -131.78 135.07 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 42.210000000000001 110.957 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -127.65 123.17 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 64.040000000000006 110.932 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -128.79 123.55 33.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 110.848 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.15 121.3 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.869 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -121.79 136.56 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -134.48 129.35 35.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.129999999999995 110.886 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ALA . . . . . 0.422 ' HB1' ' OH ' ' I' ' 110' ' ' TYR . . . -129.42 142.22 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 70.319999999999993 111.092 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -143.78 135.87 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.947 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.77 135.42 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.906 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.25 132.02 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.877 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' I' ' 106' ' ' PHE . 92.2 t -133.72 124.39 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 61.25 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -135.6 133.05 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 73.25 110.953 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.07 130.15 38.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.4 OUTLIER -129.12 124.02 33.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.549999999999997 110.954 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.86 135.29 54.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.906 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -161.45 175.7 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.906 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 65.109999999999999 111.091 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 75.439999999999998 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.69 160.4 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.430000000000007 110.866 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.79 133.62 8.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.45 130.18 5.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 45.229999999999997 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' THR . . . . . 0.421 HG21 HG21 ' C' ' 5' ' ' THR . 18.2 p -123.98 115.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.450000000000003 111.144 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -122.92 146.26 47.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 64.239999999999995 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.44 150.23 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 61.32 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.577 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.9 t -141.74 134.86 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.829 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.17 121.27 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 110.885 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.81 122.99 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.925 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 138.44 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 64.400000000000006 110.824 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.56 137.78 32.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 74.239999999999995 110.865 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -131.39 134.11 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 74.310000000000002 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.0 122.54 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 73.319999999999993 110.932 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -130.13 124.03 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.85 119.85 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.894 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -122.66 135.03 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -136.92 131.57 33.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.736 ' HB2' ' HE3' ' L' ' 112' ' ' LYS . . . -128.85 141.35 51.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.430000000000007 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -144.38 136.46 26.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 51.439999999999998 110.958 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -136.41 136.36 39.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.120000000000005 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -125.4 130.78 52.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.439999999999998 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' VAL . . . . . 0.411 HG13 ' HE1' ' L' ' 106' ' ' PHE . 47.7 t -136.83 126.36 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.239999999999995 111.195 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -134.73 132.18 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.400000000000006 110.904 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.06 129.33 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.949 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.62 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.4 OUTLIER -131.01 121.97 25.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.945 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.52 129.52 52.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.844 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -163.39 177.22 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.019999999999996 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 65.049999999999997 111.153 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 64.510000000000005 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.46 157.06 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 45.200000000000003 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 3' ' ' GLN . . . . . 0.554 HE22 HD11 ' N' ' 126' ' ' LEU . 1.1 tm0? -155.55 129.82 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 71.140000000000001 110.922 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.18 132.22 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 60.049999999999997 112.508 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -128.43 118.17 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 63.450000000000003 111.138 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -125.87 121.11 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 75.239999999999995 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' THR . . . . . 0.44 HG22 ' HB3' ' M' ' 124' ' ' GLN . 11.0 t -132.1 145.87 51.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.030000000000001 111.138 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.589 ' HA ' HG12 ' M' ' 123' ' ' VAL . 3.0 t -137.94 134.91 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.845 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.02 118.53 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 72.349999999999994 110.818 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -129.48 120.34 25.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.952 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 130.3 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 153.49 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 110.9 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -144.77 139.99 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.049999999999997 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -131.93 131.74 42.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.219999999999999 110.911 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.3 126.3 33.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 64.230000000000004 110.875 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -134.18 120.99 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.563 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -122.3 136.39 54.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 74.129999999999995 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -132.87 129.59 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' K' ' 112' ' ' LYS . . . -126.48 140.21 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 111.096 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -142.66 136.03 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.409999999999997 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -137.13 136.46 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.350000000000001 110.909 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.8 130.22 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.31 123.38 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.530000000000001 111.166 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.3 123.94 35.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.030000000000001 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.1 131.47 56.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 70.319999999999993 110.955 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.708 ' HG ' HG23 ' M' ' 105' ' ' THR . 0.5 OUTLIER -132.38 128.8 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.897 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.63 133.37 48.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.894 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -161.78 176.99 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.340000000000003 110.872 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.17 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.843 0.354 . . . . 73.140000000000001 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.23 157.14 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -154.04 129.75 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.310000000000002 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.86 133.1 6.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 63.310000000000002 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -125.96 118.55 25.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 65.140000000000001 111.162 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -124.86 123.65 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 73.129999999999995 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 7' ' ' THR . . . . . 0.744 HG22 ' HG3' ' L' ' 124' ' ' GLN . 12.6 t -127.63 144.64 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 73.129999999999995 111.14 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -135.1 135.14 40.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.219999999999999 110.851 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.56 116.93 11.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 64.310000000000002 110.842 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -129.23 120.86 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.906 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.09 133.2 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.230000000000004 110.901 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.44 ' CD ' HD11 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -133.31 153.38 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 54.240000000000002 110.92 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -144.57 137.23 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 60.219999999999999 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' F' ' 12' ' ' LYS . 1.2 mp -132.0 130.15 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 110.941 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -134.83 126.01 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.866 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 49.7 p -133.27 119.55 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 62.210000000000001 110.858 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' ARG . . . . . 0.415 ' HB2' ' HZ1' ' N' ' 112' ' ' LYS . 7.0 ptm180 -124.45 134.36 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -134.61 131.71 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.230000000000004 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' ALA . . . . . 0.436 ' HB2' ' HE2' ' N' ' 112' ' ' LYS . . . -124.71 139.89 53.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 54.43 111.156 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -141.52 138.11 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.439999999999998 110.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -136.62 137.49 40.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 50.020000000000003 110.934 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.17 129.44 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.409999999999997 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.9 121.85 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 111.131 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.87 120.39 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.8 129.3 54.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.598 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.5 OUTLIER -134.41 129.82 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 50.020000000000003 110.938 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.24 128.69 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -164.5 177.35 8.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.150000000000006 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 111.106 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 73.109999999999999 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.09 154.35 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.896 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 3' ' ' GLN . . . . . 0.569 HE22 HD11 ' P' ' 126' ' ' LEU . 1.1 tm0? -152.24 129.87 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 110.87 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 4' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -130.5 132.6 6.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 64.209999999999994 112.455 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -126.92 120.9 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 41.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -125.96 112.77 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -125.47 147.44 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 70.319999999999993 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.602 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -141.63 135.27 29.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.815 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.45 122.33 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 73.510000000000005 110.87 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.26 129.33 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.922 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 30.1 t -140.04 128.57 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.400000000000006 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -132.39 144.58 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.430000000000007 110.887 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -140.18 136.9 33.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.310000000000002 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' O' ' 117' ' ' ARG . 1.6 mp -130.51 124.37 31.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -124.92 123.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.885 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.18 120.14 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.109999999999999 110.893 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 17' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.2 ptm180 -124.33 134.98 53.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.030000000000001 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -129.03 130.01 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 73.239999999999995 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.18 131.59 54.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 111.112 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.93 124.23 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.94 127.46 34.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.09 134.15 55.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.340000000000003 110.919 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.95 135.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.150000000000006 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -144.74 122.91 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 52.219999999999999 110.883 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.52 129.64 51.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.510000000000005 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.685 HD23 ' O ' ' O' ' 104' ' ' GLY . 0.3 OUTLIER -131.71 142.58 49.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.924 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.423 ' HE1' ' HA3' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -144.29 130.34 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 55.310000000000002 110.855 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -164.99 144.17 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 64.530000000000001 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 111.143 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 71.040000000000006 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.01 154.1 36.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.540000000000006 110.881 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -150.67 129.57 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 74.109999999999999 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.6 133.27 6.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 64.030000000000001 112.503 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 5' ' ' THR . . . . . 0.436 HG22 HD12 ' P' ' 126' ' ' LEU . 12.7 p -125.1 120.3 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 74.120000000000005 111.157 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -126.06 116.16 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.219999999999999 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 147.85 45.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 111.149 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -137.33 135.06 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.863 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.63 120.23 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.049999999999997 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -132.1 132.44 43.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.519999999999996 110.911 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -137.36 130.11 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 31.350000000000001 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -129.63 145.79 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.200000000000003 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -139.74 134.82 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 71.430000000000007 110.879 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.619 HD13 ' CD ' ' P' ' 117' ' ' ARG . 1.6 mp -130.85 122.99 28.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.140000000000001 110.915 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -128.78 122.78 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 74.239999999999995 110.859 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.19 119.77 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 61.140000000000001 110.873 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.6 132.84 52.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.150000000000006 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -129.53 130.06 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.009999999999998 110.879 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' P' ' 112' ' ' LYS . . . -122.81 131.52 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 111.121 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.6 125.37 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 62.420000000000002 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.79 128.06 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.400000000000006 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.32 134.59 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.430000000000007 110.921 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -141.37 133.26 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 65.030000000000001 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' N' ' 107' ' ' THR . 2.8 tp-100 -146.88 120.78 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.929 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -124.15 130.68 52.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.3 OUTLIER -132.95 143.74 49.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 74.439999999999998 110.894 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 27' ' ' MET . . . . . 0.428 ' HE1' ' HA3' ' N' ' 104' ' ' GLY . 0.0 OUTLIER -143.7 130.18 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.862 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -165.29 144.32 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.841 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' THR . . . . . 0.599 HG23 ' HA ' ' P' ' 102' ' ' SER . 3.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.219999999999999 111.121 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 64.450000000000003 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.68 160.33 26.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.010000000000005 110.9 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -108.22 126.96 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 63.329999999999998 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.11 138.93 10.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 53.32 112.465 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.787 HG23 ' HB3' ' A' ' 26' ' ' LEU . 3.8 m -134.72 126.47 29.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.343 . . . . 73.319999999999993 111.118 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 106' ' ' PHE . . . . . 0.561 ' HE1' HG13 ' C' ' 23' ' ' VAL . 21.7 t80 -126.24 130.9 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 107' ' ' THR . . . . . 0.407 HG23 ' O ' ' I' ' 107' ' ' THR . 4.3 t -137.09 117.65 13.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 73.430000000000007 111.16 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -135.52 143.39 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.842 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -141.33 143.81 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 51.210000000000001 110.854 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 110' ' ' TYR . . . . . 0.422 ' OH ' ' HB1' ' C' ' 19' ' ' ALA . 5.4 t80 -130.3 128.57 41.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.928 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -122.41 134.53 54.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.219999999999999 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -133.41 130.62 38.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -132.19 119.82 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 42.100000000000001 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' J' ' 114' ' ' LEU . 0.1 OUTLIER -120.36 136.32 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.409999999999997 110.878 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -141.88 111.78 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 65.010000000000005 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.46 34.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 64.329999999999998 110.84 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 117' ' ' ARG . . . . . 0.541 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.15 141.07 46.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.120000000000005 110.881 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.21 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 63.039999999999999 110.875 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 119' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . . . -138.64 123.06 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 111.142 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.34 126.92 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 64.120000000000005 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.7 120.53 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.219999999999999 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -140.22 141.48 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 64.120000000000005 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 8' ' ' SER . 4.6 m -143.73 160.68 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.47 144.36 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.049999999999997 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 31.0 p-90 -142.49 139.33 31.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.942 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.98 HD12 HG22 ' C' ' 5' ' ' THR . 2.1 tt -132.87 139.9 47.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.1 125.46 37.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 70.439999999999998 110.881 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -119.35 136.72 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.219999999999999 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 111.171 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 75.310000000000002 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 102' ' ' SER . . . . . 0.434 ' HA ' HG23 ' B' ' 29' ' ' THR . 3.1 p -122.32 161.24 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 53.43 110.822 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -107.55 125.42 51.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 74.230000000000004 110.897 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 104' ' ' GLY . . . . . 0.62 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.27 137.13 9.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 74.239999999999995 112.512 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 105' ' ' THR . . . . . 0.405 HG23 ' HG ' ' D' ' 26' ' ' LEU . 3.6 m -131.29 126.94 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 64.310000000000002 111.126 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -127.12 131.21 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 63.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 4.4 t -135.4 120.18 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 73.219999999999999 111.147 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -136.33 134.69 38.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.27 145.29 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 71.409999999999997 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.62 127.5 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.140000000000001 110.929 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -121.7 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.829 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.53 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 10.8 tppt? -134.25 130.22 36.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 74.430000000000007 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -130.8 120.21 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -120.02 136.4 54.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 53.100000000000001 110.895 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -139.72 109.66 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.409999999999997 110.908 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.95 121.85 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 53.149999999999999 110.827 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 117' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -134.93 140.8 46.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 110.897 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 145.31 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.7 123.61 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.030000000000001 111.082 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.41 128.98 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.450000000000003 110.906 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.1 123.84 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -136.81 138.33 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 110.875 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' D' ' 8' ' ' SER . 6.3 m -144.07 157.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.230000000000004 111.138 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 124' ' ' GLN . . . . . 0.813 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -154.85 144.74 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.200000000000003 110.939 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -140.62 141.2 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' B' ' 5' ' ' THR . 1.1 tt -133.12 138.86 46.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.24 126.83 39.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 72.319999999999993 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 135.27 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 42.100000000000001 110.917 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 111.169 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 74.540000000000006 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.4 156.1 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.150000000000006 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 129.2 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.209999999999994 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.659 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -133.18 138.13 9.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.299999999999997 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.802 HG23 ' HG ' ' C' ' 26' ' ' LEU . 2.0 m -132.48 123.4 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 75.200000000000003 111.188 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -124.9 125.12 43.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.400000000000006 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.94 116.3 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 71.510000000000005 111.116 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 6.6 p -130.55 133.83 46.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 61.420000000000002 110.876 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.28 135.03 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.130000000000003 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.5 131.62 52.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.51 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 63.009999999999998 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 112' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' E' ' 19' ' ' ALA . 1.1 tppm? -136.29 134.1 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.040000000000006 110.879 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -136.59 123.45 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -125.83 122.52 36.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.420000000000002 110.895 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.7 111.86 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.530000000000001 110.836 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 26.2 p -126.58 128.22 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.150000000000006 110.858 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.548 HH21 ' HB2' ' K' ' 119' ' ' ALA . 4.9 ptm180 -140.8 142.37 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.109999999999999 110.859 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.64 144.59 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.827 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 119' ' ' ALA . . . . . 0.548 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -140.69 123.1 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 111.1 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.52 128.3 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.030000000000001 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -135.4 122.02 20.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -136.98 141.4 42.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 110.89 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' C' ' 8' ' ' SER . 11.3 m -140.94 162.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 44.509999999999998 111.154 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -140.67 151.13 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.129999999999995 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -150.58 120.18 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' L' ' 126' ' ' LEU . 0.9 OUTLIER -124.53 128.83 49.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.95 124.86 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 73.439999999999998 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.52 135.31 53.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.040000000000006 110.881 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 111.152 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 71.5 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.67 156.26 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.040000000000006 110.887 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.35 125.26 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 63.439999999999998 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.598 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.75 138.2 9.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 72.549999999999997 112.45 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.37 124.05 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 75.319999999999993 111.133 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 106' ' ' PHE . . . . . 0.411 ' HE1' HG13 ' D' ' 23' ' ' VAL . 9.6 t80 -125.54 125.88 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 75.530000000000001 110.87 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.01 116.25 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 111.088 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 6.5 p -129.23 128.58 43.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 62.25 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.1 135.79 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.150000000000006 110.871 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -125.58 129.47 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.921 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.13 134.43 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 52.329999999999998 110.878 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.736 ' HE3' ' HB2' ' D' ' 19' ' ' ALA . 1.1 tppm? -138.92 135.03 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 51.219999999999999 110.884 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -134.95 124.16 24.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 74.340000000000003 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -125.68 122.64 36.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 72.450000000000003 110.934 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.43 110.7 13.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.409999999999997 110.835 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 26.5 p -126.74 129.24 48.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.505 HH21 ' HB2' ' L' ' 119' ' ' ALA . 5.1 ptm180 -140.54 141.88 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.340000000000003 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.35 145.62 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 63.229999999999997 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 119' ' ' ALA . . . . . 0.505 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -139.57 124.86 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.068 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -129.68 128.18 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -135.95 124.59 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.510000000000005 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -136.3 139.89 42.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.894 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.2 m -141.14 158.91 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.140000000000001 111.148 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 124' ' ' GLN . . . . . 0.744 ' HG3' HG22 ' F' ' 7' ' ' THR . 1.2 pp0? -144.31 153.46 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -150.02 122.42 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.939 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -125.74 130.87 52.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 71.450000000000003 110.905 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 129.15 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.439999999999998 110.893 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.89 133.24 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.872 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 54.109999999999999 111.119 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.354 . . . . 72.109999999999999 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.56 163.2 30.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 73.230000000000004 110.852 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 130.21 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.22 138.38 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 75.200000000000003 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.708 HG23 ' HG ' ' E' ' 26' ' ' LEU . 4.3 m -132.27 135.27 46.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 71.239999999999995 111.162 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.97 115.8 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 72.400000000000006 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.53 121.0 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.439999999999998 111.149 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.22 134.13 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 110.823 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.72 135.53 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 74.340000000000003 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 134.27 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.129999999999995 110.887 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 65.8 m -137.53 134.5 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 65.409999999999997 110.867 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 112' ' ' LYS . . . . . 0.451 ' HZ1' ' HB2' ' G' ' 17' ' ' ARG . 0.2 OUTLIER -138.31 131.39 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.400000000000006 110.899 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -132.82 117.0 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.099999999999994 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.495 HD13 HD13 ' N' ' 114' ' ' LEU . 0.1 OUTLIER -121.55 118.82 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.109999999999999 110.927 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.57 111.51 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.829 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -130.71 127.41 38.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 117' ' ' ARG . . . . . 0.629 ' HD2' HD23 ' E' ' 14' ' ' LEU . 1.1 ptm180 -144.43 145.24 31.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.400000000000006 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.46 154.52 49.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.219999999999999 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 119' ' ' ALA . . . . . 0.454 ' HB2' ' NH2' ' M' ' 117' ' ' ARG . . . -142.29 129.66 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.510000000000005 111.128 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.82 122.28 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.918 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -130.39 121.25 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.865 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -138.06 141.22 40.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.869 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.5 m -143.07 154.29 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 111.104 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 124' ' ' GLN . . . . . 0.44 ' HB3' HG22 ' E' ' 7' ' ' THR . 6.3 tt0 -130.39 140.2 50.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.299999999999997 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -138.99 114.46 9.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.923 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' N' ' 126' ' ' LEU . 1.8 tt -120.75 131.42 54.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 110.943 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.19 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 70.120000000000005 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.24 132.83 53.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.130000000000003 110.837 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.168 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 74.239999999999995 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.29 163.08 30.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 62.520000000000003 110.828 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.68 126.39 52.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.474 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.09 137.74 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 54.030000000000001 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 4.2 m -128.56 134.64 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -134.26 114.3 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 107' ' ' THR . . . . . 0.403 HG23 ' NE2' ' H' ' 24' ' ' GLN . 0.2 OUTLIER -111.41 122.2 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.135 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.31 131.33 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 63.25 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.83 138.49 37.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.911 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.57 133.37 48.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 50.539999999999999 110.931 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 65.5 m -135.05 134.67 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -141.37 130.62 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.329999999999998 110.89 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -131.5 116.81 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.563 HD11 ' HD3' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -121.81 117.86 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 73.319999999999993 110.933 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -127.57 110.14 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.549999999999997 110.868 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -129.55 130.36 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.841 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 117' ' ' ARG . . . . . 0.53 ' NH2' ' HB2' ' N' ' 119' ' ' ALA . 1.3 ptm180 -145.39 144.61 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.209999999999994 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 155.15 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 70.409999999999997 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 119' ' ' ALA . . . . . 0.53 ' HB2' ' NH2' ' N' ' 117' ' ' ARG . . . -142.6 130.02 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.119999999999997 111.059 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -127.72 122.27 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.329999999999998 110.935 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -130.9 122.42 26.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -136.33 142.56 43.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 70.099999999999994 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 10.2 m -142.85 150.69 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 111.152 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -133.77 140.52 47.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.349999999999994 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.41 116.21 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 62.020000000000003 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' M' ' 126' ' ' LEU . 1.6 tt -121.19 132.11 54.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 62.420000000000002 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.14 125.65 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 110.86 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -122.99 132.46 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.420000000000002 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 71.120000000000005 111.123 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 31.8 m170 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.806 0.336 . . . . 65.400000000000006 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -111.28 178.56 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.53 139.37 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 62.350000000000001 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.685 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -143.54 138.7 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 62.299999999999997 112.482 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -128.6 140.23 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 74.430000000000007 111.151 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -135.19 113.21 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.409999999999997 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -110.96 133.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.319999999999993 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -143.35 135.53 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.848 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -142.72 136.28 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.209999999999994 110.842 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -128.29 127.85 43.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 70.439999999999998 110.935 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.18 134.95 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 65.310000000000002 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.31 136.36 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 71.400000000000006 110.927 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -130.26 118.77 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.444 HD22 HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -120.48 116.06 24.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 43.509999999999998 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.07 112.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.87 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.16 127.93 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.140000000000001 110.861 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' G' ' 14' ' ' LEU . 4.6 ptm180 -141.06 152.81 45.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.430000000000007 110.888 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.52 145.97 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 70.120000000000005 110.847 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.57 123.83 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.349999999999994 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.33 122.11 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 64.510000000000005 110.904 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -130.75 123.44 29.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 75.439999999999998 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -141.5 142.3 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.310000000000002 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.1 m -142.67 158.72 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 75.420000000000002 111.141 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.93 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.932 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.75 114.69 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.450000000000003 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.432 HD23 ' C ' ' O' ' 126' ' ' LEU . 3.8 tt -120.43 133.41 55.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.401 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.2 mmt -128.49 124.29 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.853 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.85 133.23 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 111.133 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 73.349999999999994 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 102' ' ' SER . . . . . 0.599 ' HA ' HG23 ' H' ' 29' ' ' THR . 83.7 p -111.68 179.94 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.099999999999994 110.883 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.72 139.86 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.109999999999999 110.94 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.76 139.53 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 44.140000000000001 112.503 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.8 t -128.41 139.19 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 64.219999999999999 111.119 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -136.75 111.04 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -114.23 131.97 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.040000000000006 111.173 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -144.21 135.07 25.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 44.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -141.53 135.83 30.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.540000000000006 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -127.91 127.62 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.917 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.54 134.47 39.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 54.109999999999999 110.861 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -138.84 136.11 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 73.409999999999997 110.922 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.14 118.35 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 64.540000000000006 110.898 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -118.43 117.56 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 74.439999999999998 110.954 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.87 111.29 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 110.901 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.78 130.51 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 110.871 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 117' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' H' ' 14' ' ' LEU . 5.3 ptm180 -140.37 153.44 46.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 110.844 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.77 147.63 35.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 63.210000000000001 110.857 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 119' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' P' ' 117' ' ' ARG . . . -137.29 123.51 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 62.420000000000002 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.84 122.35 37.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -133.9 121.72 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 53.310000000000002 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -141.08 142.31 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 53.210000000000001 110.856 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.12 156.14 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 54.549999999999997 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.69 134.28 37.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 110.897 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.96 116.15 14.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.530000000000001 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.569 HD11 HE22 ' G' ' 3' ' ' GLN . 3.7 tt -120.61 133.63 55.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.439999999999998 110.909 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.3 mmt -128.4 125.49 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.866 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.21 134.17 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 70.319999999999993 110.884 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 111.157 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 65.120000000000005 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -125.27 112.1 16.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 65.019999999999996 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -126.3 148.51 49.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 74.430000000000007 111.102 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.672 ' HA ' HG12 ' I' ' 123' ' ' VAL . 9.4 t -150.85 134.57 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 54.539999999999999 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.01 130.12 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.040000000000006 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -138.89 128.64 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.94 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -138.68 140.86 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 65.329999999999998 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.97 136.87 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.400000000000006 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -136.43 132.03 34.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.7 124.52 43.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.927 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.74 125.38 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.893 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -136.32 126.11 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.219999999999999 110.903 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.8 ptm180 -129.89 138.05 50.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 110.926 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -128.45 122.7 31.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 65.109999999999999 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 124.55 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 35.140000000000001 111.102 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -131.01 124.34 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.319999999999993 110.828 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -122.98 135.81 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.858 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.65 135.11 52.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -143.9 118.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.230000000000004 111.082 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.16 135.79 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 110.887 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -139.99 138.21 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.510000000000005 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' I' ' 105' ' ' THR . 3.5 tp -134.71 129.46 34.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 63.020000000000003 110.922 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.542 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -128.3 154.04 46.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.209999999999994 110.895 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -164.57 172.2 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.219999999999999 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 74.239999999999995 111.153 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.767 0.318 . . . . 62.350000000000001 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -143.27 154.86 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 110.804 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.98 163.13 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 75.140000000000001 110.911 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.61 136.38 4.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 64.319999999999993 112.562 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -124.81 122.52 37.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 54.210000000000001 111.189 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.64 116.33 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.209999999999994 110.935 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.555 HG23 ' HB2' ' J' ' 124' ' ' GLN . 5.2 m -118.77 150.41 39.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.420000000000002 111.171 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -143.09 135.82 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 72.099999999999994 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.57 129.79 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 64.319999999999993 110.875 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -137.01 130.66 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.7 t -136.29 141.17 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.519999999999996 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.12 139.82 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 74.129999999999995 110.889 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -133.5 131.8 40.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 71.540000000000006 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.403 ' O ' HD23 ' B' ' 14' ' ' LEU . 5.4 tt -122.94 121.74 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 73.439999999999998 110.896 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.61 125.44 38.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 73.349999999999994 110.833 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -136.05 126.44 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 51.109999999999999 110.81 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -129.63 134.97 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 72.329999999999998 110.814 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -132.28 123.57 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.896 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.5 125.15 48.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 72.150000000000006 111.146 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -132.12 124.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.229999999999997 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -121.94 135.33 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -125.96 132.86 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.510000000000005 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.13 122.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 55.240000000000002 111.134 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.86 138.09 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.329999999999998 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -137.34 136.5 38.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.878 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.51 HD12 ' N ' ' B' ' 27' ' ' MET . 5.1 tp -135.38 128.97 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 75.510000000000005 110.93 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' MET . . . . . 0.51 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -126.26 151.01 48.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.882 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -164.79 171.66 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 70.239999999999995 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 61.100000000000001 111.161 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.826 0.346 . . . . 72.209999999999994 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.6 143.79 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 51.539999999999999 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLN . . . . . 0.521 ' NE2' HD22 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -158.7 135.9 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 63.009999999999998 110.908 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 127.89 4.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 55.020000000000003 112.48 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.26 124.75 43.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.150000000000006 111.141 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.47 112.44 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.865 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.3 144.43 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.319999999999993 111.132 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.673 ' HA ' HG12 ' K' ' 123' ' ' VAL . 10.0 t -142.97 134.76 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 64.239999999999995 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.16 121.5 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.847 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -130.94 123.89 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.928 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -134.59 143.78 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 64.409999999999997 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.5 OUTLIER -150.6 142.84 24.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.872 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.18 129.78 24.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 42.210000000000001 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' C' ' 12' ' ' LYS . 1.9 mp -119.32 125.01 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 64.040000000000006 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -126.18 123.6 38.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.299999999999997 110.838 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -134.63 129.02 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 74.120000000000005 110.813 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.466 ' HE ' HD11 ' L' ' 114' ' ' LEU . 0.2 OUTLIER -135.48 139.97 44.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.919 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -133.16 137.05 46.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.853 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.91 136.36 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.319999999999993 111.14 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.87 133.88 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -132.95 129.02 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.73 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.93 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.56 135.37 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.99 121.63 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.77 129.14 55.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 74.239999999999995 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.677 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -135.61 126.15 26.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.549999999999997 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' MET . . . . . 0.521 ' N ' HD22 ' C' ' 26' ' ' LEU . 0.0 OUTLIER -141.49 129.74 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.905 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -160.28 147.17 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.81 HG23 ' HA ' ' K' ' 101' ' ' HIS . 1.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 65.109999999999999 111.096 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.353 . . . . 75.439999999999998 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' SER . . . . . 0.618 ' HB3' HG23 ' L' ' 129' ' ' THR . 1.4 t -132.72 143.68 49.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.826 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 3' ' ' GLN . . . . . 0.419 ' HG3' HD22 ' L' ' 128' ' ' ASN . 0.9 OUTLIER -154.14 131.66 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.94 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 128.64 4.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 45.229999999999997 112.519 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -123.95 121.27 34.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 72.450000000000003 111.098 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -130.47 113.18 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.239999999999995 110.831 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.78 145.11 43.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 61.32 111.108 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.423 ' HA ' HG12 ' J' ' 123' ' ' VAL . 10.0 t -137.79 135.1 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 74.450000000000003 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.71 120.66 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.958 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -129.67 124.07 32.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 70.400000000000006 110.835 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -132.94 142.08 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 64.400000000000006 110.829 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' LYS . . . . . 0.567 ' NZ ' HD11 ' D' ' 14' ' ' LEU . 0.5 OUTLIER -149.7 143.45 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.933 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -139.64 129.67 25.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.973 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.719 HD13 ' CD ' ' L' ' 117' ' ' ARG . 1.9 mp -119.73 122.05 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 110.928 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.21 123.1 33.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.809 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -134.66 129.46 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 110.877 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.11 136.53 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 72.209999999999994 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -135.12 137.6 42.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.82 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.498 ' HB2' ' HZ1' ' L' ' 112' ' ' LYS . . . -128.49 134.23 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.430000000000007 111.133 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.36 135.06 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 51.439999999999998 110.913 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -134.08 130.26 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.91 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 124.67 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 64.439999999999998 110.901 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 23' ' ' VAL . . . . . 0.538 HG13 ' HE1' ' L' ' 106' ' ' PHE . 42.7 t -135.6 135.29 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 64.239999999999995 111.126 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 119.72 11.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' L' ' 106' ' ' PHE . 0.0 OUTLIER -120.47 127.15 51.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.26 -0.427 . . . . 70.319999999999993 110.89 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.536 ' C ' HD13 ' D' ' 26' ' ' LEU . 2.9 tm? -136.68 132.15 34.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.239999999999995 110.955 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' MET . . . . . 0.508 ' N ' HD22 ' D' ' 26' ' ' LEU . 0.0 OUTLIER -140.41 129.44 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.859 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -162.01 147.94 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.019999999999996 110.92 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 65.049999999999997 111.235 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.812 0.339 . . . . 64.510000000000005 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -137.78 147.3 44.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 45.200000000000003 110.856 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 3' ' ' GLN . . . . . 0.437 HE22 HD21 ' N' ' 126' ' ' LEU . 1.7 pt20 -167.94 134.92 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 71.140000000000001 110.943 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.99 126.16 5.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.766 -0.731 . . . . 60.049999999999997 112.481 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -128.97 120.04 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 63.450000000000003 111.116 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -125.54 111.93 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 110.849 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -120.89 141.45 50.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.030000000000001 111.06 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.62 ' HA ' HG12 ' M' ' 123' ' ' VAL . 5.8 t -134.96 135.07 41.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 72.420000000000002 110.855 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.01 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.826 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -132.56 119.13 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 63.340000000000003 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -129.44 138.51 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.805 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -144.04 142.56 30.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 74.530000000000001 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -138.82 131.24 28.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.049999999999997 110.871 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.3 120.95 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.854 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.68 122.17 39.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 110.879 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.84 130.39 37.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.879 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.552 ' NH1' HD13 ' M' ' 114' ' ' LEU . 8.3 ptm180 -132.69 137.32 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -133.55 136.77 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.804 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.35 134.92 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.439999999999998 111.066 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -132.96 130.7 39.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.85 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 54.350000000000001 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -131.56 131.31 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' K' ' 106' ' ' PHE . 20.8 t -137.63 125.11 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 71.530000000000001 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.52 124.69 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.030000000000001 110.95 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.04 131.26 56.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 70.319999999999993 110.888 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.06 122.78 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.25 110.909 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 130.9 51.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.85 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -159.48 128.95 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 73.340000000000003 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' THR . . . . . 0.632 HG21 ' CD2' ' M' ' 101' ' ' HIS . 97.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.129999999999995 111.124 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 73.140000000000001 110.831 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -137.39 149.48 46.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.91 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -159.15 129.71 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.67 128.57 5.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.78 -0.724 . . . . 63.310000000000002 112.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 5' ' ' THR . . . . . 0.943 HG22 HD23 ' N' ' 126' ' ' LEU . 10.6 p -123.68 118.51 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 65.140000000000001 111.192 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -127.18 112.54 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 110.879 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -119.04 137.9 53.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 111.141 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -133.35 135.56 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 62.219999999999999 110.857 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -140.37 121.56 14.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 64.310000000000002 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -129.94 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.96 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -127.56 136.67 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 64.230000000000004 110.857 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 12.6 ptmt -143.41 143.24 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 54.240000000000002 110.952 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.79 125.43 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 60.219999999999999 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 122.7 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 71.319999999999993 110.949 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -124.53 122.51 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.899 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.68 128.78 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 62.210000000000001 110.875 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' ARG . . . . . 0.481 ' NH1' HD13 ' L' ' 114' ' ' LEU . 7.4 ptm180 -132.21 136.1 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.837 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.77 136.96 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.230000000000004 110.852 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.16 134.55 47.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.43 111.06 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -133.02 132.31 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -134.87 134.65 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 50.020000000000003 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.7 130.57 44.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.918 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.83 123.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.150000000000006 111.12 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 121.11 18.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 110.942 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.43 130.4 55.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.531 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -132.67 124.24 27.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 50.020000000000003 110.851 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.47 128.81 48.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 110.856 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.63 130.33 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.935 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' THR . . . . . 0.617 ' HG1' ' N ' ' L' ' 101' ' ' HIS . 96.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.510000000000005 111.113 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 73.109999999999999 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.92 145.06 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 74.129999999999995 110.833 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -165.01 139.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.140000000000001 110.927 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 4' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -132.88 130.79 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 64.209999999999994 112.462 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -124.38 122.63 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 41.32 111.205 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -127.73 113.31 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -125.4 146.42 49.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.319999999999993 111.094 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.608 ' HA ' HG12 ' O' ' 123' ' ' VAL . 13.5 t -141.19 135.14 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.918 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.02 126.5 25.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 73.510000000000005 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -137.26 119.89 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.906 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -132.71 130.86 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 72.400000000000006 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.33 145.73 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 71.430000000000007 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -139.96 137.39 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 73.310000000000002 110.897 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 128.68 44.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 72.299999999999997 110.947 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -129.34 123.31 31.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.855 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.32 123.11 27.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.109999999999999 110.859 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -124.37 136.85 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.97 43.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 72.219999999999999 111.079 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.33 126.97 44.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 110.935 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -132.25 120.24 21.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 71.030000000000001 110.828 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -118.89 126.88 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.866 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.12 123.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 72.150000000000006 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.13 124.55 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.219999999999999 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 131.2 56.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.478 ' C ' HD13 ' G' ' 26' ' ' LEU . 2.6 tm? -131.84 117.4 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.882 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 19.1 mtm -116.01 130.51 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 55.310000000000002 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -164.56 132.62 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 64.530000000000001 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' THR . . . . . 0.445 HG23 ' HB3' ' M' ' 102' ' ' SER . 5.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 74.010000000000005 111.112 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.799 0.333 . . . . 71.040000000000006 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.67 147.02 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.540000000000006 110.827 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.47 134.63 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.109999999999999 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 133.41 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 64.030000000000001 112.545 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 5' ' ' THR . . . . . 0.532 HG22 HD12 ' P' ' 126' ' ' LEU . 12.5 p -120.79 121.73 38.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 74.120000000000005 111.106 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -125.93 115.73 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.219999999999999 110.861 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -121.02 146.85 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.230000000000004 111.118 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -136.86 135.31 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.21 124.39 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.049999999999997 110.833 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -135.21 118.85 17.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.875 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -129.68 132.14 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 31.350000000000001 110.804 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.0 145.62 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.93 132.7 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -128.76 127.54 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 62.140000000000001 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -131.92 122.85 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.846 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 123.39 34.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 110.866 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -125.4 133.13 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.150000000000006 110.806 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.59 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.009999999999998 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 128.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.230000000000004 111.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -123.88 128.07 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 62.420000000000002 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -132.85 119.53 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.400000000000006 110.822 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -117.65 127.98 54.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.01 122.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.030000000000001 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.75 121.05 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.519999999999996 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.15 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.455 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.2 tm? -131.99 115.73 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 74.439999999999998 110.895 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 27' ' ' MET . . . . . 0.441 ' N ' HD22 ' H' ' 26' ' ' LEU . 17.1 mtm -116.32 128.55 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 72.230000000000004 110.878 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -165.05 132.81 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.129999999999995 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' THR . . . . . 0.621 HG23 ' HA ' ' P' ' 102' ' ' SER . 5.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 65.219999999999999 111.176 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.753 0.311 . . . . 64.450000000000003 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 32.4 p -164.66 149.67 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.010000000000005 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.44 127.12 55.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.329999999999998 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 104' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -138.96 137.98 9.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.76 . . . . 53.32 112.507 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 26' ' ' LEU . 10.7 t -130.87 136.04 48.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 73.319999999999993 111.198 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -134.39 125.91 28.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 74.409999999999997 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 3.1 t -129.96 121.8 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.430000000000007 111.129 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 95.0 p -136.93 145.17 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -147.14 143.73 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 51.210000000000001 110.839 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -132.78 129.14 38.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.540000000000006 110.973 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 5.2 p -125.92 134.73 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.219999999999999 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 112' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' I' ' 114' ' ' LEU . 1.0 OUTLIER -136.24 128.33 29.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 63.409999999999997 110.877 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.19 122.63 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 42.100000000000001 110.908 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.697 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -119.86 124.53 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.923 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.5 112.79 12.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.947 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.63 129.34 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.329999999999998 110.802 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 135.71 40.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 74.120000000000005 110.898 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.05 139.99 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 63.039999999999999 110.847 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 123.66 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 65.439999999999998 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -130.97 128.34 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 64.120000000000005 110.926 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -138.15 127.97 25.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -144.41 145.42 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 64.120000000000005 110.909 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 8' ' ' SER . 25.2 m -139.1 160.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.107 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.13 136.43 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.049999999999997 110.92 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -135.28 115.43 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 71.340000000000003 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' J' ' 126' ' ' LEU . 6.6 tt -120.44 132.55 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.099999999999994 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -132.02 125.54 31.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 70.439999999999998 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.02 139.06 49.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 65.219999999999999 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.167 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 75.310000000000002 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 31.7 p -164.86 149.53 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.844 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.08 126.28 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 74.230000000000004 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.44 136.53 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 74.239999999999995 112.445 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 6.2 t -130.67 135.5 47.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 64.310000000000002 111.095 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -134.05 126.12 29.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 63.25 110.764 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.8 t -128.31 123.13 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 73.219999999999999 111.13 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 91.8 p -136.95 139.92 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 70.420000000000002 110.853 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -150.08 145.32 26.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 71.409999999999997 110.892 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.91 127.8 39.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.140000000000001 110.951 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 5.3 p -125.2 134.1 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 64.409999999999997 110.858 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.719 ' HE3' HD12 ' J' ' 114' ' ' LEU . 0.8 OUTLIER -137.49 128.68 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 110.897 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.08 120.67 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.099999999999994 110.953 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.719 HD12 ' HE3' ' J' ' 112' ' ' LYS . 0.2 OUTLIER -121.91 123.28 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 53.100000000000001 110.945 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.42 112.71 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.31 128.53 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 53.149999999999999 110.809 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 135.4 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.219999999999999 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.23 139.78 53.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.836 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.14 124.06 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 73.030000000000001 111.039 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.72 127.7 37.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.450000000000003 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -138.22 130.8 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.010000000000005 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -142.78 141.15 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' D' ' 8' ' ' SER . 26.2 m -139.75 155.9 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 64.230000000000004 111.066 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 124' ' ' GLN . . . . . 0.555 ' HB2' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -136.86 139.03 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 71.200000000000003 110.976 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -131.32 115.8 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 70.25 110.907 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' I' ' 126' ' ' LEU . 7.5 tt -119.1 132.87 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -130.18 130.17 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.319999999999993 110.846 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.32 137.07 50.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 42.100000000000001 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.140000000000001 111.126 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 101' ' ' HIS . . . . . 0.81 ' HA ' HG23 ' C' ' 29' ' ' THR . 71.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 74.540000000000006 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 13.7 t -122.44 143.89 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 110.813 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.79 130.51 54.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 75.209999999999994 110.939 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.495 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -134.89 136.63 8.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 73.299999999999997 112.488 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.677 ' HB ' HD23 ' C' ' 26' ' ' LEU . 5.9 t -139.62 141.44 37.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 75.200000000000003 111.12 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 106' ' ' PHE . . . . . 0.498 ' HE1' HG13 ' E' ' 23' ' ' VAL . 4.6 t80 -140.99 125.94 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 73.400000000000006 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 16.1 p -121.4 131.84 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 71.510000000000005 111.136 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 130.82 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 61.420000000000002 110.882 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -135.94 139.41 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 54.130000000000003 110.828 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -135.29 141.57 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 73.409999999999997 110.964 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.14 134.64 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.009999999999998 110.807 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.92 129.08 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 73.040000000000006 110.885 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.48 120.22 29.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.886 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.01 121.55 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 74.420000000000002 110.889 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 110.89 10.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.530000000000001 110.913 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -131.85 124.98 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.150000000000006 110.847 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.504 HH21 ' HB2' ' K' ' 119' ' ' ALA . 5.1 ptm180 -134.97 134.54 40.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.917 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.6 143.14 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.839 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 119' ' ' ALA . . . . . 0.504 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -141.97 123.45 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 71.239999999999995 111.136 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -132.91 129.74 38.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -137.54 122.76 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.120000000000005 110.814 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.85 142.62 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.349999999999994 110.903 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -140.34 153.26 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 44.509999999999998 111.103 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.44 135.08 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 65.129999999999995 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -131.22 109.79 10.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' L' ' 126' ' ' LEU . 8.8 tt -113.75 125.81 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 62.43 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -125.17 123.6 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 73.439999999999998 110.863 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.11 136.65 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 72.040000000000006 110.92 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.019999999999996 111.122 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 101' ' ' HIS . . . . . 0.617 ' N ' ' HG1' ' F' ' 29' ' ' THR . 71.4 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.759 0.314 . . . . 71.5 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 13.8 t -122.19 144.18 49.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.892 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.0 125.87 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 63.439999999999998 110.878 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.531 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.36 135.86 7.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 72.549999999999997 112.486 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.47 HG23 ' HB3' ' D' ' 26' ' ' LEU . 5.0 t -138.25 139.76 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 75.319999999999993 111.116 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 106' ' ' PHE . . . . . 0.538 ' HE1' HG13 ' D' ' 23' ' ' VAL . 2.1 t80 -142.74 126.01 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.530000000000001 110.862 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 13.7 p -122.15 132.88 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 71.319999999999993 111.106 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.47 125.82 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 62.25 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -138.91 142.99 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.150000000000006 110.905 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -133.42 141.98 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 73.430000000000007 110.964 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.05 135.42 41.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 52.329999999999998 110.85 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.498 ' HZ1' ' HB2' ' D' ' 19' ' ' ALA . 0.3 OUTLIER -130.39 129.51 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 51.219999999999999 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -125.01 120.26 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.931 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.481 HD13 ' NH1' ' F' ' 17' ' ' ARG . 0.1 OUTLIER -124.82 120.89 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 72.450000000000003 110.889 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.98 110.6 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -130.49 125.56 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 75.439999999999998 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.719 ' CD ' HD13 ' D' ' 14' ' ' LEU . 5.4 ptm180 -135.03 135.24 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.807 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.4 143.05 49.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.229999999999997 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 119' ' ' ALA . . . . . 0.42 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -141.0 125.25 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -134.18 128.37 33.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.430000000000007 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -138.23 126.49 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.510000000000005 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.92 140.16 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.319999999999993 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.21 150.09 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.48 136.57 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.420000000000002 110.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -127.56 110.11 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' K' ' 126' ' ' LEU . 9.7 tt -114.55 125.17 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 26.1 mmt -125.82 127.85 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.905 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 128' ' ' ASN . . . . . 0.419 HD22 ' HG3' ' D' ' 3' ' ' GLN . 0.5 OUTLIER -126.07 133.91 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 110.882 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 129' ' ' THR . . . . . 0.618 HG23 ' HB3' ' D' ' 2' ' ' SER . 14.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 54.109999999999999 111.19 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 101' ' ' HIS . . . . . 0.632 ' CD2' HG21 ' E' ' 29' ' ' THR . 25.9 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 72.109999999999999 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 102' ' ' SER . . . . . 0.445 ' HB3' HG23 ' G' ' 29' ' ' THR . 80.1 p -133.8 163.8 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.952 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.15 127.35 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.15 138.99 10.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 75.200000000000003 112.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 17.1 m -136.11 130.09 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 71.239999999999995 111.169 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -128.49 117.76 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.858 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.95 119.24 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 132.51 43.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.904 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -136.73 142.71 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -138.17 137.47 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.13 138.11 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.409999999999997 110.873 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 133.14 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.400000000000006 110.953 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -132.92 121.79 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 110.956 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.552 HD13 ' NH1' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -126.52 122.53 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.22 111.61 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.129999999999995 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 121.57 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 73.430000000000007 110.909 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 139.96 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.89 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -127.47 136.86 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.219999999999999 110.886 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.32 122.92 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 70.510000000000005 111.114 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -132.71 126.88 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -134.98 120.57 19.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.943 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -135.99 142.74 44.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 110.89 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.62 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.1 m -141.58 149.2 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -124.36 131.26 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -128.64 109.21 11.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.937 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.745 HD13 ' O ' ' M' ' 126' ' ' LEU . 0.3 OUTLIER -116.39 115.13 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.965 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 127' ' ' MET . . . . . 0.745 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.9 OUTLIER -116.84 122.24 43.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.120000000000005 110.83 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -123.76 137.5 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 62.130000000000003 110.837 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.1 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -134.17 163.64 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.99 125.63 49.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.81 138.28 10.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.798 -0.715 . . . . 54.030000000000001 112.467 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 16.7 m -134.3 128.97 34.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 73.019999999999996 111.113 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -129.79 116.82 19.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.329999999999998 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 119.3 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 111.162 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.02 130.24 43.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.827 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.79 142.91 40.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -139.58 135.57 33.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 50.539999999999999 110.926 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.24 138.28 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.349999999999994 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 134.24 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 63.329999999999998 110.921 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -130.66 125.01 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 122.33 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.831 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.88 114.54 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.549999999999997 110.863 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.32 121.61 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 110.85 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.05 140.65 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -128.38 141.09 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.409999999999997 110.843 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -140.09 122.32 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 51.119999999999997 111.064 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.01 125.93 32.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -138.8 118.95 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 72.409999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -136.25 142.36 43.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.099999999999994 110.836 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.3 145.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 75.120000000000005 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -127.54 131.17 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 64.349999999999994 110.928 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -126.84 108.53 11.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.020000000000003 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.943 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.36 117.36 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.420000000000002 110.923 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 127' ' ' MET . . . . . 0.627 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.9 OUTLIER -118.14 128.36 54.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.519999999999996 110.868 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.12 134.66 55.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 63.420000000000002 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.120000000000005 111.135 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 65.400000000000006 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.73 178.27 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 110.845 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.7 134.16 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 62.350000000000001 110.898 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.49 139.32 10.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 62.299999999999997 112.475 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.419 HG23 HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -134.17 124.7 26.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 74.430000000000007 111.093 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -125.48 120.3 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 62.409999999999997 110.878 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 116.19 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 75.319999999999993 111.072 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 124.22 36.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.855 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.55 127.68 41.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 73.209999999999994 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -126.81 127.4 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 70.439999999999998 110.912 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.37 134.5 45.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 65.310000000000002 110.83 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -131.02 128.89 41.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 71.400000000000006 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.24 116.58 20.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.99 124.29 44.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 43.509999999999998 110.951 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -130.74 109.95 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -127.08 124.56 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.140000000000001 110.866 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' O' ' 119' ' ' ALA . 2.5 ptm180 -137.7 145.99 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.73 146.23 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 70.120000000000005 110.832 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 119' ' ' ALA . . . . . 0.464 ' HB2' ' NH2' ' O' ' 117' ' ' ARG . . . -138.78 123.28 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 111.147 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 122.33 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 64.510000000000005 110.871 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -131.55 118.96 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 110.897 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -136.68 142.62 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' G' ' 8' ' ' SER . 6.2 m -142.01 154.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.420000000000002 111.134 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.42 134.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 110.44 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.450000000000003 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' P' ' 126' ' ' LEU . 1.6 tt -117.02 129.64 56.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 72.230000000000004 110.92 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.0 mmt -125.0 124.13 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.439999999999998 110.86 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.82 137.38 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 64.510000000000005 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 111.162 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 73.349999999999994 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 102' ' ' SER . . . . . 0.621 ' HA ' HG23 ' H' ' 29' ' ' THR . 91.0 p -118.45 178.77 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.099999999999994 110.855 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.25 133.45 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.109999999999999 110.944 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.4 139.13 10.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.781 -0.724 . . . . 44.140000000000001 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 126.69 37.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 64.219999999999999 111.128 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -126.42 118.73 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.450000000000003 110.818 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.86 116.14 25.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.040000000000006 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.21 125.64 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 44.0 110.843 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.48 127.65 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.540000000000006 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.81 127.78 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 110.897 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.37 134.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 54.109999999999999 110.826 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -131.89 128.57 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -130.69 115.0 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.248 -0.433 . . . . 64.540000000000006 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.77 125.5 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 74.439999999999998 110.953 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.09 109.58 10.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 65.340000000000003 110.838 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -123.44 128.38 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 110.8 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 117' ' ' ARG . . . . . 0.451 ' NH2' ' HB2' ' P' ' 119' ' ' ALA . 2.7 ptm180 -137.52 146.97 44.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 71.209999999999994 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 147.76 45.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 63.210000000000001 110.847 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 119' ' ' ALA . . . . . 0.451 ' HB2' ' NH2' ' P' ' 117' ' ' ARG . . . -139.61 123.35 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 111.121 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.12 122.2 36.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.866 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -134.39 118.31 17.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 53.310000000000002 110.968 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -137.31 142.28 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 53.210000000000001 110.951 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.26 152.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.549999999999997 111.108 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -132.79 133.91 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.42 112.5 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 74.530000000000001 110.926 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' O' ' 126' ' ' LEU . 1.3 tt -117.6 130.72 56.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.439999999999998 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -124.72 125.64 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.889 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.69 138.12 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 70.319999999999993 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 111.123 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.35 . . . . 65.120000000000005 111.106 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -123.14 112.37 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 65.019999999999996 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 142.81 46.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.430000000000007 111.188 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.6 t -134.7 134.75 41.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 54.539999999999999 110.876 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -135.34 124.01 23.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.040000000000006 110.814 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -133.41 128.17 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t -137.75 131.08 30.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 65.329999999999998 110.845 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -140.07 132.9 29.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.400000000000006 110.944 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -133.35 139.38 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.3 OUTLIER -129.85 132.21 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.972 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -135.3 122.55 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.530000000000001 110.823 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -129.86 127.62 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.219999999999999 110.927 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' CZ ' HD11 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -133.17 149.29 52.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 72.349999999999994 110.853 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -147.89 137.19 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 65.109999999999999 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.15 142.96 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 35.140000000000001 111.145 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.04 127.1 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.915 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -122.44 113.35 19.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -116.08 122.08 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 72.019999999999996 110.943 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.4 t -136.19 117.8 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.230000000000004 111.175 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -129.56 132.84 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -131.37 131.76 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' I' ' 104' ' ' GLY . 17.0 tp -127.9 137.15 52.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 63.020000000000003 110.9 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 3.2 ptp -133.05 130.5 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.209999999999994 110.863 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -148.54 166.09 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.519 ' HG1' ' N ' ' I' ' 101' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.079 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.791 0.329 . . . . 62.350000000000001 110.835 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -147.81 153.13 38.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 64.230000000000004 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.28 131.18 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 75.140000000000001 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 130.55 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 64.319999999999993 112.509 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.992 HG22 HD23 ' J' ' 126' ' ' LEU . 13.2 p -125.22 117.36 23.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 54.210000000000001 111.129 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -126.05 114.22 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.209999999999994 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 140.75 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 60.420000000000002 111.096 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -133.61 134.93 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.099999999999994 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -139.37 123.52 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 64.319999999999993 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.83 129.96 41.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.430000000000007 110.955 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 44.3 t -135.77 132.26 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.519999999999996 110.817 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -138.39 135.11 34.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 74.129999999999995 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -131.03 137.16 49.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.402 . . . . 71.540000000000006 110.936 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.84 131.69 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 73.439999999999998 110.92 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -134.64 122.66 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.349999999999994 110.833 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -128.83 127.67 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 51.109999999999999 110.848 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 147.08 52.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 72.329999999999998 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -151.13 137.12 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' J' ' 112' ' ' LYS . . . -127.02 141.59 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.150000000000006 111.131 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 128.05 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 63.229999999999997 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.67 115.56 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.803 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.68 121.07 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.510000000000005 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 63.3 t -137.12 117.97 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 55.240000000000002 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -128.62 133.98 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -130.09 130.7 45.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.120000000000005 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 27' ' ' MET . 17.1 tp -129.21 136.09 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 75.510000000000005 110.935 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' MET . . . . . 0.462 ' N ' HD12 ' B' ' 26' ' ' LEU . 3.2 ptp -135.5 130.6 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 110.876 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -147.7 165.93 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.239999999999995 110.851 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 61.100000000000001 111.143 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.82 0.343 . . . . 72.209999999999994 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.05 144.46 49.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.539999999999999 110.826 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLN . . . . . 0.707 ' OE1' HG23 ' C' ' 5' ' ' THR . 0.3 OUTLIER -161.4 135.09 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 110.87 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.59 127.79 4.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 55.020000000000003 112.45 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.707 HG23 ' OE1' ' C' ' 3' ' ' GLN . 10.0 p -123.3 126.01 46.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 71.150000000000006 111.133 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.41 117.52 19.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 75.109999999999999 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 148.25 51.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.319999999999993 111.094 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.631 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.8 t -143.42 135.41 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.889 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.33 124.14 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.120000000000005 110.806 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -136.63 125.34 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.942 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -130.08 135.81 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.868 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.95 129.91 38.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 75.140000000000001 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -129.04 125.32 37.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.210000000000001 110.99 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -123.21 120.85 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 64.040000000000006 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -126.11 123.03 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 72.299999999999997 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -127.84 121.53 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.120000000000005 110.875 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.491 ' NH1' HD21 ' L' ' 114' ' ' LEU . 2.7 ptm180 -124.16 135.45 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.530000000000001 110.869 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 138.38 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.129999999999995 110.911 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ALA . . . . . 0.58 ' HB2' ' HZ1' ' I' ' 112' ' ' LYS . . . -130.96 142.09 50.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 70.319999999999993 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -141.88 134.79 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.97 134.86 40.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -132.28 127.24 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.54 118.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 61.25 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -129.13 123.81 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -118.47 131.57 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -123.65 134.05 53.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.549999999999997 110.944 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -131.18 131.7 44.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.87 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.08 131.41 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.857 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.627 HG23 ' O ' ' I' ' 101' ' ' HIS . 91.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 65.109999999999999 111.164 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.767 0.318 . . . . 75.439999999999998 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.78 145.38 48.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.872 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 3' ' ' GLN . . . . . 0.417 ' OE1' HG23 ' D' ' 5' ' ' THR . 0.4 OUTLIER -156.86 130.74 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.349999999999994 110.951 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.07 4.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 45.229999999999997 112.47 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' THR . . . . . 0.417 HG23 ' OE1' ' D' ' 3' ' ' GLN . 13.7 p -121.57 124.14 43.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 72.450000000000003 111.17 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.9 120.82 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 110.862 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' THR . . . . . 0.553 HG23 ' HB2' ' L' ' 124' ' ' GLN . 0.2 OUTLIER -123.37 147.51 46.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.15 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.573 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.7 t -138.3 134.76 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.450000000000003 110.795 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.28 122.02 13.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.340000000000003 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -135.51 124.41 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.888 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 37.1 t -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 64.400000000000006 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.08 131.23 42.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -126.15 121.01 31.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 74.310000000000002 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.812 HD12 ' HD3' ' L' ' 117' ' ' ARG . 5.3 mt -122.75 120.28 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.905 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.81 122.88 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -126.16 121.07 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.832 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -125.52 134.73 51.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 72.209999999999994 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 139.27 45.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.438 . . . . 74.409999999999997 110.855 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.592 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -129.87 142.11 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 111.142 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.3 135.62 32.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 51.439999999999998 110.884 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.38 135.9 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.120000000000005 110.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -130.54 126.88 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 64.439999999999998 110.805 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -139.4 117.9 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.239999999999995 111.171 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -131.02 120.1 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.400000000000006 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' D' ' 27' ' ' MET . 21.4 t-105 -119.88 129.14 54.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 70.319999999999993 110.878 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.582 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.5 OUTLIER -125.87 135.23 51.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.965 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 27' ' ' MET . . . . . 0.411 ' HB3' ' CZ2' ' D' ' 25' ' ' TRP . 4.4 ptp -133.04 129.24 37.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.340000000000003 110.882 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.19 131.23 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 75.019999999999996 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' THR . . . . . 0.665 HG23 ' O ' ' L' ' 101' ' ' HIS . 91.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 65.049999999999997 111.172 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 64.510000000000005 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -146.59 156.81 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 45.200000000000003 110.914 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.15 167.02 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.140000000000001 110.877 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.23 127.87 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 60.049999999999997 112.534 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 29.8 p -125.62 118.82 26.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 63.450000000000003 111.159 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -125.46 112.3 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 75.239999999999995 110.903 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.49 146.91 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.030000000000001 111.14 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.618 ' HA ' HG12 ' M' ' 123' ' ' VAL . 4.7 t -140.87 135.1 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.420000000000002 110.834 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.03 120.54 18.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 72.349999999999994 110.797 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -129.87 121.36 26.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 63.340000000000003 110.937 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -131.8 140.11 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 75.299999999999997 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.68 140.82 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.530000000000001 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -132.48 136.64 46.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.049999999999997 110.898 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.89 117.96 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 75.219999999999999 110.964 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -118.31 122.4 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.230000000000004 110.845 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 10.3 m -132.75 123.52 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.823 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' N' ' 114' ' ' LEU . 7.1 ptm180 -129.31 143.28 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 136.12 40.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' ALA . . . . . 0.455 ' HB2' HH22 ' E' ' 17' ' ' ARG . . . -124.61 135.49 53.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.81 124.6 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.409999999999997 110.921 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.45 118.11 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 54.350000000000001 110.87 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.69 124.8 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.439999999999998 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 t -137.05 119.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.530000000000001 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' M' ' 107' ' ' THR . 1.1 tm0? -153.02 136.77 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.030000000000001 110.956 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.0 p-90 -140.32 142.98 35.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 70.319999999999993 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.711 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -122.41 129.58 52.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.956 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.461 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.4 ptt? -123.15 131.95 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.299999999999997 110.884 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.65 147.48 8.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 73.340000000000003 110.84 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.13 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 73.140000000000001 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -146.49 157.94 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 110.855 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.27 161.63 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 128.49 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 63.310000000000002 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 5' ' ' THR . . . . . 0.452 HG22 ' HG ' ' N' ' 126' ' ' LEU . 29.9 p -122.4 118.5 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 65.140000000000001 111.137 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.94 114.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.129999999999995 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.87 146.09 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 73.129999999999995 111.133 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.621 ' HA ' HG12 ' L' ' 123' ' ' VAL . 4.6 t -138.37 135.51 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.219999999999999 110.884 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.55 118.6 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.310000000000002 110.882 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.14 120.38 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 75.129999999999995 110.961 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 46.9 t -130.39 138.72 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 64.230000000000004 110.839 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 0.0 OUTLIER -145.08 140.95 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 54.240000000000002 110.918 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -132.29 134.08 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 60.219999999999999 110.878 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 115.87 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 71.319999999999993 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.76 122.44 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 10.4 m -132.27 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 62.210000000000001 110.805 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.27 141.73 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 74.420000000000002 110.896 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.43 136.34 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.831 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.47 135.55 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 54.43 111.08 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.21 125.83 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.89 119.82 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 50.020000000000003 110.823 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.46 124.54 52.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.409999999999997 110.926 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.73 121.39 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.150000000000006 111.153 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' GLN . . . . . 0.408 ' HB2' HG23 ' L' ' 107' ' ' THR . 1.5 tm0? -152.34 133.88 14.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.908 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -137.83 139.82 40.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.678 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.2 tm? -122.12 128.12 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 50.020000000000003 110.913 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -123.04 129.51 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.881 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -165.74 147.56 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 111.065 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 73.109999999999999 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 2' ' ' SER . . . . . 0.527 ' CB ' HG23 ' O' ' 129' ' ' THR . 1.4 p -143.24 149.03 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.895 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 3' ' ' GLN . . . . . 0.608 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -152.22 140.82 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.140000000000001 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 4' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -133.45 129.45 5.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 64.209999999999994 112.4 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -122.09 121.65 37.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.801 0.334 . . . . 41.32 111.215 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -126.24 113.25 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.863 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.77 145.81 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 70.319999999999993 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.615 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.9 t -139.45 135.64 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.821 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.77 118.23 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.859 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -131.49 123.8 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.952 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 150.21 51.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -155.24 145.95 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 71.430000000000007 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 13' ' ' TYR . . . . . 0.42 ' HB3' ' HD3' ' O' ' 118' ' ' ARG . 46.5 t80 -144.55 141.12 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.417 ' N ' HD12 ' G' ' 14' ' ' LEU . 3.1 mp -127.07 128.1 45.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 72.299999999999997 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -125.39 122.92 38.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 24.0 p -134.5 138.09 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 65.109999999999999 110.816 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -141.51 134.44 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 73.030000000000001 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 126.64 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.239999999999995 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.92 141.3 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.219999999999999 111.067 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -140.69 123.86 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -128.19 136.44 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.030000000000001 110.88 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.92 136.44 48.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.340000000000003 110.88 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -146.23 117.71 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.150000000000006 111.16 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.13 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.219999999999999 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 25' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 4.1 p-90 -141.26 143.96 34.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 71.510000000000005 110.94 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.641 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.0 tm? -121.02 128.52 52.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 74.219999999999999 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -121.11 130.16 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 55.310000000000002 110.896 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.47 177.08 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 64.530000000000001 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.010000000000005 111.157 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 71.040000000000006 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.03 148.5 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 73.540000000000006 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 135.19 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 74.109999999999999 110.967 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 128.55 4.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 64.030000000000001 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.1 p -120.56 120.05 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 74.120000000000005 111.115 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -124.95 114.89 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.219999999999999 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 7' ' ' THR . . . . . 0.492 HG23 ' CB ' ' P' ' 124' ' ' GLN . 0.2 OUTLIER -125.19 145.48 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 111.187 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -136.04 135.11 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 72.040000000000006 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.43 115.22 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 74.049999999999997 110.864 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.49 124.57 32.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.519999999999996 110.906 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -131.59 148.78 52.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 31.350000000000001 110.797 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 12' ' ' LYS . . . . . 0.575 ' CE ' HD11 ' H' ' 14' ' ' LEU . 14.8 ptmt -151.26 147.07 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 72.200000000000003 110.888 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -143.63 136.29 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 71.430000000000007 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.622 HD13 HH11 ' P' ' 117' ' ' ARG . 4.6 mp -127.74 126.27 41.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 62.140000000000001 110.914 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -128.7 122.63 31.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 110.931 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 24.2 p -131.28 137.2 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 61.140000000000001 110.851 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.38 130.09 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.28 124.96 29.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 63.009999999999998 110.828 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 19' ' ' ALA . . . . . 0.505 ' HB2' ' CD ' ' P' ' 112' ' ' LYS . . . -121.32 140.62 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 111.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -138.37 123.91 19.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 62.420000000000002 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.8 138.6 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.904 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.07 136.71 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.931 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -145.9 117.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 65.030000000000001 111.114 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.67 136.16 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.519999999999996 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' TRP . . . . . 0.404 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 3.5 p-90 -146.84 138.69 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 71.519999999999996 110.909 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.5 tm? -120.16 127.58 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.924 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 27' ' ' MET . . . . . 0.404 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 0.0 OUTLIER -124.07 128.54 49.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.230000000000004 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.13 177.55 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 64.129999999999995 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 29' ' ' THR . . . . . 0.411 HG21 ' ND1' ' N' ' 101' ' ' HIS . 14.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 65.219999999999999 111.115 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 101' ' ' HIS . . . . . 0.627 ' O ' HG23 ' C' ' 29' ' ' THR . 2.2 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 64.450000000000003 110.8 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.6 p -164.22 144.17 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 72.010000000000005 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.33 127.4 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.329999999999998 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 104' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.36 138.74 10.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 53.32 112.476 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.562 ' OG1' HD13 ' A' ' 26' ' ' LEU . 14.5 m -133.61 123.53 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 73.319999999999993 111.153 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -122.83 115.91 22.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.888 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.8 m -117.21 119.78 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.02 127.72 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.817 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.98 130.55 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 51.210000000000001 110.852 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -127.09 129.09 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 75.540000000000006 110.905 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -119.58 134.68 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 74.219999999999999 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 112' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -129.2 128.04 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 63.409999999999997 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -133.18 125.05 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 42.100000000000001 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -134.08 134.29 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.409999999999997 110.924 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.02 118.58 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.866 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -126.49 138.72 53.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 64.329999999999998 110.803 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 117' ' ' ARG . . . . . 0.453 ' HB2' HD12 ' A' ' 14' ' ' LEU . 7.5 ptm180 -139.82 140.09 36.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 128.49 43.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.039999999999999 110.825 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 119' ' ' ALA . . . . . 0.425 ' HB2' HH22 ' I' ' 117' ' ' ARG . . . -130.5 123.55 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.439999999999998 111.133 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -135.13 128.25 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 64.120000000000005 110.928 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -138.05 127.8 25.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 110.816 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.22 146.94 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 64.120000000000005 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -142.63 156.13 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.098 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.76 129.39 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 73.049999999999997 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -125.47 109.33 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.756 HD22 ' N ' ' I' ' 127' ' ' MET . 0.3 OUTLIER -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.099999999999994 110.912 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 127' ' ' MET . . . . . 0.756 ' N ' HD22 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -118.31 122.02 41.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.871 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 137.13 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 65.219999999999999 110.829 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.439999999999998 111.197 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 39.1 m170 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.794 0.331 . . . . 75.310000000000002 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.8 p -164.22 144.23 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 53.43 110.836 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.01 125.75 51.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.893 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 104' ' ' GLY . . . . . 0.582 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.64 137.97 9.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.783 -0.722 . . . . 74.239999999999995 112.49 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 15.2 m -132.05 123.96 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 64.310000000000002 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -123.07 116.04 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.889 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 86.6 m -116.23 119.3 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.11 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.41 124.74 34.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 110.794 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.7 134.74 33.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 71.409999999999997 110.846 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -125.06 127.72 47.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.140000000000001 110.921 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 18.4 m -119.57 136.58 54.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 64.409999999999997 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.55 ' NZ ' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -129.94 128.52 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.430000000000007 110.904 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -127.99 126.56 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 74.099999999999994 110.964 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -137.47 131.26 31.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 53.100000000000001 110.876 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.65 118.46 11.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 73.409999999999997 110.824 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -128.58 137.67 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 53.149999999999999 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.96 138.57 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.825 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.63 129.52 40.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 74.109999999999999 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.48 125.75 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.030000000000001 111.066 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -134.27 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.450000000000003 110.868 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -138.03 130.05 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.010000000000005 110.859 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.05 144.2 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.209999999999994 110.806 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' D' ' 8' ' ' SER . 12.8 m -142.98 153.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.230000000000004 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -135.2 130.31 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 71.200000000000003 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.76 109.24 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 70.25 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.992 HD23 HG22 ' B' ' 5' ' ' THR . 1.0 OUTLIER -116.51 116.31 27.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.310000000000002 110.897 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 127' ' ' MET . . . . . 0.612 ' N ' HD22 ' J' ' 126' ' ' LEU . 0.2 OUTLIER -118.97 126.99 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 72.319999999999993 110.911 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.54 134.32 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 42.100000000000001 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.054 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 74.540000000000006 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.22 167.95 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.150000000000006 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.5 128.16 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.95 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.26 138.72 10.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 73.299999999999997 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.61 HG23 ' HG ' ' C' ' 26' ' ' LEU . 6.9 m -131.81 121.29 23.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 75.200000000000003 111.146 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -117.88 110.97 18.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.400000000000006 110.88 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -112.81 117.82 33.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.510000000000005 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.54 130.52 47.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 61.420000000000002 110.848 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.6 141.86 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 54.130000000000003 110.874 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -135.1 142.33 46.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.923 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -141.02 138.31 33.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 63.009999999999998 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 137.68 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.040000000000006 110.88 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -136.06 117.71 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.209999999999994 110.967 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' L' ' 114' ' ' LEU . 0.4 OUTLIER -123.28 115.91 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 110.953 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.17 111.27 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 63.530000000000001 110.816 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 121.72 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.150000000000006 110.868 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.4 135.81 40.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.109999999999999 110.871 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -132.75 144.31 50.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 110.85 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.4 123.97 18.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -122.94 121.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 71.030000000000001 110.842 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -129.09 118.6 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 75.120000000000005 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -140.26 142.45 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.349999999999994 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -141.99 157.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 44.509999999999998 111.08 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -132.81 140.38 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 65.129999999999995 110.914 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.95 114.18 8.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.129999999999995 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' L' ' 126' ' ' LEU . 7.5 tt -120.9 128.76 53.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.233 -0.44 . . . . 62.43 110.962 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.8 124.96 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.885 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -127.85 139.31 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.040000000000006 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 111.162 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 101' ' ' HIS . . . . . 0.665 ' O ' HG23 ' D' ' 29' ' ' THR . 18.6 m170 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 71.5 110.828 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.61 168.57 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 64.040000000000006 110.849 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.72 126.24 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 63.439999999999998 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.513 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -134.43 135.68 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 72.549999999999997 112.485 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.678 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.9 m -130.28 120.24 24.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 75.319999999999993 111.137 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -118.51 110.74 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.530000000000001 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 107' ' ' THR . . . . . 0.408 HG23 ' HB2' ' F' ' 24' ' ' GLN . 7.0 m -111.2 117.46 33.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.319999999999993 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.94 126.54 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 62.25 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.12 143.43 38.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -134.56 141.32 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.9 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 6.3 t -140.06 138.91 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 52.329999999999998 110.826 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.592 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.63 138.06 37.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 51.219999999999999 110.897 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -134.36 118.38 17.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.953 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' K' ' 114' ' ' LEU . 0.4 OUTLIER -121.24 115.87 23.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 72.450000000000003 110.945 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.33 109.73 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.87 123.89 45.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.916 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.812 ' HD3' HD12 ' D' ' 14' ' ' LEU . 2.1 ptm180 -133.75 136.32 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.340000000000003 110.894 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -133.48 146.68 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 63.229999999999997 110.891 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.39 123.91 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -123.95 123.27 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -130.65 122.33 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.510000000000005 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -138.84 140.55 38.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 71.319999999999993 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' F' ' 8' ' ' SER . 16.6 m -142.09 154.92 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 111.122 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 124' ' ' GLN . . . . . 0.553 ' HB2' HG23 ' D' ' 7' ' ' THR . 22.5 tp60 -136.2 140.92 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.954 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -138.01 117.4 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.872 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' K' ' 126' ' ' LEU . 6.8 tt -120.01 129.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 71.450000000000003 110.911 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.74 128.42 47.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.439999999999998 110.793 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -124.69 137.33 54.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.822 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 54.109999999999999 111.14 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.331 . . . . 72.109999999999999 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.8 160.0 36.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.896 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.48 128.71 56.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.409999999999997 110.922 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.581 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -134.72 138.74 10.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 75.200000000000003 112.568 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.711 ' HB ' HD23 ' E' ' 26' ' ' LEU . 10.3 t -127.54 128.92 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 71.239999999999995 111.165 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 106' ' ' PHE . . . . . 0.449 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 20.4 t80 -121.62 119.33 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 110.919 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 107' ' ' THR . . . . . 0.729 HG22 ' HG3' ' E' ' 24' ' ' GLN . 7.5 p -127.1 119.25 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 71.439999999999998 111.13 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 31.2 t -137.69 134.86 35.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.844 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.25 128.93 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -121.85 138.36 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.129999999999995 110.866 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 76.7 p -141.5 137.87 32.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 65.409999999999997 110.83 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 112' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -135.3 141.34 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.400000000000006 110.879 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -134.65 124.08 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.099999999999994 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -124.82 125.14 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 75.109999999999999 110.887 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.23 110.56 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 110.905 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -127.27 126.46 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.817 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.01 138.11 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 74.400000000000006 110.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.76 135.39 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.219999999999999 110.892 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.52 123.1 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 111.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.6 126.27 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -134.61 121.52 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -136.73 141.67 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.349999999999994 110.92 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.4 m -141.83 156.79 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 111.184 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -133.85 134.5 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 109.95 8.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.299999999999997 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' N' ' 126' ' ' LEU . 9.6 tt -116.24 134.18 55.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.907 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 127' ' ' MET . . . . . 0.427 ' N ' HD23 ' M' ' 126' ' ' LEU . 0.3 OUTLIER -130.51 125.69 34.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 70.120000000000005 110.832 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.52 140.38 53.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.933 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.077 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 101' ' ' HIS . . . . . 0.411 ' ND1' HG21 ' H' ' 29' ' ' THR . 5.7 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.57 160.59 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.520000000000003 110.886 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 103' ' ' GLN . . . . . 0.524 ' HG2' HD21 ' H' ' 26' ' ' LEU . 0.7 OUTLIER -112.67 127.04 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 70.219999999999999 110.934 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.535 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -134.35 136.53 8.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.719 . . . . 54.030000000000001 112.455 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 105' ' ' THR . . . . . 0.658 ' HB ' HD23 ' H' ' 26' ' ' LEU . 12.1 t -131.26 129.13 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 73.019999999999996 111.159 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -122.73 121.91 37.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 11.1 p -120.15 121.62 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.340000000000003 111.181 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t -138.3 129.59 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.53 130.26 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -121.3 136.06 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.539999999999999 110.906 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 76.6 p -142.15 138.1 31.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 74.349999999999994 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.763 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -135.92 141.79 44.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 63.329999999999998 110.851 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -133.13 124.11 26.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 74.230000000000004 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -123.4 125.17 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 73.319999999999993 110.958 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.56 110.02 9.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 72.549999999999997 110.912 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 p -125.93 129.58 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.811 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.41 136.1 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 64.209999999999994 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.51 137.23 54.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 70.409999999999997 110.847 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -132.71 123.63 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.119999999999997 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -130.72 126.98 37.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.329999999999998 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -137.47 122.02 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 72.409999999999997 110.797 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -136.1 143.34 44.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.099999999999994 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.73 152.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.138 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -136.95 135.32 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 64.349999999999994 110.873 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.12 112.07 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.020000000000003 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' M' ' 126' ' ' LEU . 9.9 tt -114.21 133.69 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 62.420000000000002 110.977 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -133.46 129.51 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.849 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.5 138.86 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 63.420000000000002 110.892 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 71.120000000000005 111.211 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.778 0.323 . . . . 65.400000000000006 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 12.4 p -156.35 153.57 29.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.841 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.13 129.92 48.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 62.350000000000001 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.641 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.02 138.63 8.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 62.299999999999997 112.469 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.621 HG23 HD23 ' G' ' 26' ' ' LEU . 0.9 OUTLIER -125.6 129.43 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 111.128 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 106' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 26.2 t80 -121.42 127.69 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 62.409999999999997 110.881 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -139.37 122.91 17.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 75.319999999999993 111.146 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -143.89 146.75 33.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.951 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.81 157.43 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.877 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -146.13 127.95 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 70.439999999999998 110.965 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.41 137.58 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 65.310000000000002 110.846 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 112' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' O' ' 114' ' ' LEU . 18.2 tptp -128.32 128.71 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 71.400000000000006 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.55 115.78 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.329999999999998 110.951 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.449 HD12 ' HE3' ' O' ' 112' ' ' LYS . 0.1 OUTLIER -120.39 131.78 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 43.509999999999998 110.967 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -143.39 114.3 7.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.140000000000001 110.911 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 58.1 p -136.87 127.02 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.837 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -135.3 146.27 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.430000000000007 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 118' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' G' ' 13' ' ' TYR . 0.1 OUTLIER -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 70.120000000000005 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.35 124.85 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.64 125.82 44.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 64.510000000000005 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.71 120.41 23.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -140.79 144.39 35.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 71.310000000000002 110.851 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' G' ' 8' ' ' SER . 12.3 m -142.58 156.12 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.420000000000002 111.186 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -131.66 136.06 47.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -137.97 113.81 9.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' P' ' 126' ' ' LEU . 10.5 tt -117.98 131.88 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.230000000000004 110.903 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.428 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.1 mmt -126.76 124.2 39.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.941 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.49 131.36 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 64.510000000000005 110.883 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 129' ' ' THR . . . . . 0.527 HG23 ' CB ' ' G' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 44.2 m170 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.8 0.333 . . . . 73.349999999999994 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 12.5 p -156.9 154.76 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.099999999999994 110.877 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.48 129.72 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.75 138.0 7.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 44.140000000000001 112.512 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -128.13 129.1 46.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 64.219999999999999 111.192 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -120.75 129.82 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.868 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -138.71 123.32 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 111.219 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -144.76 147.09 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 44.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.05 158.76 43.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 71.540000000000006 110.87 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -146.17 127.55 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.937 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.44 134.81 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.109999999999999 110.766 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 112' ' ' LYS . . . . . 0.505 ' CD ' ' HB2' ' H' ' 19' ' ' ALA . 18.1 tptp -129.33 128.13 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.409999999999997 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.38 115.27 20.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 64.540000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.469 HD12 ' HZ1' ' P' ' 112' ' ' LYS . 0.1 OUTLIER -116.93 134.26 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.439999999999998 110.909 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -144.14 113.84 7.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 65.340000000000003 110.819 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -134.02 131.06 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.010000000000005 110.849 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 117' ' ' ARG . . . . . 0.622 HH11 HD13 ' H' ' 14' ' ' LEU . 7.8 ptm180 -134.6 148.83 50.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 71.209999999999994 110.849 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 150.89 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 63.210000000000001 110.838 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 119' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -145.08 123.94 12.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 62.420000000000002 111.173 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.64 124.27 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.957 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -135.63 118.87 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 53.310000000000002 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 53.210000000000001 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.97 153.51 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 54.549999999999997 111.152 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 124' ' ' GLN . . . . . 0.492 ' CB ' HG23 ' H' ' 7' ' ' THR . 13.2 pt20 -134.15 134.04 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.209999999999994 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.83 114.68 11.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 74.530000000000001 110.871 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' O' ' 126' ' ' LEU . 10.6 tt -118.62 132.24 56.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 63.439999999999998 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -128.27 125.49 38.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.841 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -122.42 133.89 54.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.901 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.540000000000006 111.174 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 65.120000000000005 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.07 111.39 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.019999999999996 110.876 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.1 142.74 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 74.430000000000007 111.161 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.665 ' HA ' HG12 ' I' ' 123' ' ' VAL . 13.3 t -140.38 134.64 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 54.539999999999999 110.873 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.65 125.37 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.040000000000006 110.928 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.29 122.55 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.409999999999997 110.91 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.51 130.87 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 65.329999999999998 110.86 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 124.46 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 75.400000000000006 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 132.93 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 110.829 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.4 OUTLIER -123.13 118.73 28.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 74.25 110.91 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.43 122.62 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 75.530000000000001 110.864 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.75 148.39 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.1 ptm180 -146.41 148.96 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 72.349999999999994 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -141.28 124.26 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 110.955 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.68 139.55 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 35.140000000000001 111.148 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.03 123.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.917 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -119.59 127.39 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 110.822 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.6 t -144.89 117.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.230000000000004 111.206 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.09 138.92 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -140.89 137.06 32.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.510000000000005 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD13 ' HB ' ' I' ' 105' ' ' THR . 2.3 tp -133.81 130.21 37.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 63.020000000000003 110.907 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.558 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -121.64 138.42 54.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.842 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -149.41 176.81 10.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.15 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 62.350000000000001 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -144.95 153.6 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.868 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.7 152.21 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 130.87 2.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 64.319999999999993 112.505 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.404 HG21 HD13 ' I' ' 126' ' ' LEU . 3.3 p -126.08 136.73 53.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.883 0.373 . . . . 54.210000000000001 111.126 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.91 115.7 9.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.836 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.593 HG23 ' CB ' ' J' ' 124' ' ' GLN . 0.2 OUTLIER -119.64 144.2 47.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 60.420000000000002 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -137.6 135.45 36.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 72.099999999999994 110.83 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -134.99 126.69 29.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 64.319999999999993 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.39 125.29 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.430000000000007 110.935 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.07 132.24 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 74.519999999999996 110.889 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 129.68 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.925 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.31 131.54 53.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.19 116.57 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.439999999999998 110.892 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.29 122.99 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.349999999999994 110.857 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.5 146.83 46.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 51.109999999999999 110.934 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.54 146.05 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -145.04 124.5 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 139.18 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 72.150000000000006 111.114 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.87 124.11 19.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.229999999999997 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.43 128.85 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.12 128.41 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -144.14 122.79 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 55.240000000000002 111.134 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' HB3' HG23 ' J' ' 107' ' ' THR . 1.7 tm0? -138.01 139.75 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 110.921 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 27' ' ' MET . 4.1 tp -134.35 131.27 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' MET . . . . . 0.536 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -122.62 137.55 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 110.871 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.68 176.37 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.239999999999995 110.852 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 61.100000000000001 111.178 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 72.209999999999994 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.2 p -151.36 158.83 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 110.873 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLN . . . . . 0.419 ' NE2' HD21 ' K' ' 126' ' ' LEU . 1.5 pp0? -165.74 145.44 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 63.009999999999998 110.843 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.13 129.42 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 55.020000000000003 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -124.05 118.32 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 71.150000000000006 111.068 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.27 116.08 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.109999999999999 110.896 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -123.07 143.48 49.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.319999999999993 111.143 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.563 ' HA ' HG12 ' K' ' 123' ' ' VAL . 2.0 t -138.39 135.05 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.814 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.73 122.27 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 72.120000000000005 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -133.77 129.28 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.420000000000002 110.939 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -131.5 142.05 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.409999999999997 110.903 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' K' ' 119' ' ' ALA . 3.0 ttpm? -138.82 138.42 37.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.140000000000001 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -140.42 130.72 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 42.210000000000001 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.98 131.07 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -137.35 122.82 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.822 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.29 124.23 33.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 110.858 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.77 135.47 54.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.530000000000001 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -131.67 129.19 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.856 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 132.32 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.319999999999993 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.99 123.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 74.209999999999994 110.945 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -126.63 124.15 39.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.98 123.61 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 110.928 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.28 131.64 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.25 111.181 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' K' ' 107' ' ' THR . 4.4 tp-100 -135.92 121.33 19.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -117.8 128.99 55.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -135.45 131.61 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.549999999999997 110.873 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.4 130.69 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.898 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -161.16 176.98 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.887 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.5 HG22 ' HA ' ' I' ' 102' ' ' SER . 43.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 65.109999999999999 111.12 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 75.439999999999998 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -151.26 159.07 44.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 110.816 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -162.87 142.88 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 72.349999999999994 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 131.61 5.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 45.229999999999997 112.568 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -121.18 118.42 29.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 72.450000000000003 111.143 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.71 115.94 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 64.239999999999995 110.834 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -119.22 141.71 48.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.32 111.143 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -135.87 134.66 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.822 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.47 120.93 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -133.84 130.44 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 70.400000000000006 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -129.22 142.37 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 64.400000000000006 110.832 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -137.56 139.39 40.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.959 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -139.65 131.34 27.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.91 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' L' ' 117' ' ' ARG . 3.5 mp -133.18 129.42 37.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.845 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.19 122.86 18.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.120000000000005 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.2 123.28 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.310000000000002 110.843 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -122.1 132.86 54.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.209999999999994 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -134.78 128.85 33.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.82 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.642 ' HB2' ' HE2' ' L' ' 112' ' ' LYS . . . -124.26 133.46 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 124.36 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 51.439999999999998 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -124.25 127.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.58 123.71 41.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 110.874 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 23' ' ' VAL . . . . . 0.509 HG13 ' OG ' ' L' ' 108' ' ' SER . 21.4 t -132.18 129.73 60.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.152 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -138.6 120.21 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -117.71 129.83 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 70.319999999999993 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.09 134.69 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 74.239999999999995 110.989 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 130.18 22.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.340000000000003 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -160.77 177.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.019999999999996 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 65.049999999999997 111.095 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 64.510000000000005 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.78 152.74 42.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 45.200000000000003 110.88 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.62 163.36 35.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 71.140000000000001 110.923 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 131.52 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 60.049999999999997 112.572 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -120.21 135.45 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 63.450000000000003 111.19 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.7 111.71 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.239999999999995 110.882 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.48 141.15 51.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.030000000000001 111.117 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.67 ' HA ' HG12 ' M' ' 123' ' ' VAL . 10.4 t -141.42 134.64 29.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 110.841 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.59 119.57 14.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 72.349999999999994 110.851 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -131.98 120.82 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 63.340000000000003 110.977 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -124.66 141.92 51.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.299999999999997 110.891 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.85 138.92 30.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -142.84 124.34 14.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.049999999999997 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -122.92 121.21 35.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.219999999999999 110.929 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -123.97 124.66 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 64.230000000000004 110.879 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -132.69 122.54 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 137.5 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.129999999999995 110.83 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -131.28 140.65 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' M' ' 112' ' ' LYS . . . -131.26 137.46 48.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 111.074 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.09 126.52 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.52 130.59 45.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 54.350000000000001 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.9 125.77 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 23.7 t -132.05 120.43 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 71.530000000000001 111.15 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' GLN . . . . . 0.432 ' NE2' HG23 ' M' ' 107' ' ' THR . 4.9 tp-100 -128.73 122.52 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 74.030000000000001 110.856 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 131.51 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.319999999999993 110.949 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 126.01 31.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.912 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.96 135.26 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.906 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.83 176.74 9.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 111.155 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -142.56 153.0 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 73.420000000000002 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 3' ' ' GLN . . . . . 0.649 HE22 HD21 ' L' ' 126' ' ' LEU . 1.6 pp0? -156.0 157.6 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 72.310000000000002 110.864 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 132.82 3.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 63.310000000000002 112.464 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -122.56 133.64 54.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 65.140000000000001 111.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -137.81 115.28 11.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 110.886 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 143.91 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 73.129999999999995 111.127 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.409 ' HA ' HG12 ' L' ' 123' ' ' VAL . 10.4 t -135.38 134.87 40.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 62.219999999999999 110.914 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.98 119.16 12.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.310000000000002 110.882 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.24 118.95 21.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 75.129999999999995 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -125.92 140.44 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.888 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -140.86 141.78 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.240000000000002 110.868 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -140.11 122.72 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 60.219999999999999 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' N' ' 117' ' ' ARG . 1.0 OUTLIER -121.93 120.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 71.319999999999993 110.861 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -125.11 125.15 43.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.797 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 124.15 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 62.210000000000001 110.836 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' ARG . . . . . 0.426 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.2 OUTLIER -124.69 132.36 53.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.864 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -132.93 138.76 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.230000000000004 110.87 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.34 138.4 47.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.43 111.079 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -136.39 128.35 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 74.439999999999998 110.92 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -127.6 133.92 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 50.020000000000003 110.86 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -123.47 126.41 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.902 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' VAL . . . . . 0.458 HG13 ' HE1' ' N' ' 106' ' ' PHE . 29.9 t -133.14 118.29 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.150000000000006 111.142 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -132.14 118.46 19.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 130.47 56.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.868 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.523 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -129.69 126.52 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 50.020000000000003 110.909 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.08 129.35 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.877 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -164.7 177.45 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 73.150000000000006 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' THR . . . . . 0.54 HG22 ' HA ' ' N' ' 102' ' ' SER . 19.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 111.225 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.795 0.331 . . . . 73.109999999999999 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.72 157.55 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.822 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.85 137.29 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 73.140000000000001 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.56 128.55 6.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 64.209999999999994 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 14.8 p -123.18 117.25 24.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 41.32 111.114 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -128.35 119.36 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.942 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.34 124.28 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.319999999999993 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.539 ' HA ' HG12 ' O' ' 123' ' ' VAL . 1.5 t -118.41 134.94 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.400000000000006 110.833 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 121.13 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 110.85 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.6 127.86 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 110.948 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -135.7 142.4 45.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 72.400000000000006 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.33 144.32 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.430000000000007 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -134.39 138.82 45.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.310000000000002 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.555 HD23 ' CD ' ' O' ' 117' ' ' ARG . 0.1 OUTLIER -129.92 118.0 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 72.299999999999997 110.938 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -121.9 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.847 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.94 119.72 26.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 65.109999999999999 110.835 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 134.51 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 73.030000000000001 110.859 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -134.76 136.65 42.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.239999999999995 110.826 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.31 135.34 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 111.086 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -138.19 123.88 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -130.17 129.59 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 71.030000000000001 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.99 136.66 53.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 t -140.84 134.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.113 -0.494 . . . . 72.150000000000006 111.061 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' GLN . . . . . 0.594 ' NE2' HG22 ' O' ' 107' ' ' THR . 2.7 tp-100 -144.45 117.75 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 52.219999999999999 110.843 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -117.2 129.8 56.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 71.510000000000005 110.971 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.807 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.4 tm? -135.13 129.2 33.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.219999999999999 110.88 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.589 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -137.26 131.25 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 55.310000000000002 110.91 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -164.75 149.8 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.530000000000001 110.845 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 74.010000000000005 111.177 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.837 0.351 . . . . 71.040000000000006 110.806 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.3 155.41 42.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.540000000000006 110.841 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.94 134.06 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 74.109999999999999 110.862 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 130.19 6.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.656 -0.783 . . . . 64.030000000000001 112.445 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 5' ' ' THR . . . . . 0.487 HG22 HD12 ' P' ' 126' ' ' LEU . 11.7 p -121.82 118.97 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 74.120000000000005 111.132 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -127.58 121.62 31.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 63.219999999999999 110.906 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 127.65 46.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 74.230000000000004 111.117 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -117.94 134.74 54.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 72.040000000000006 110.882 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.46 118.56 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.049999999999997 110.965 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -129.72 128.15 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 110.898 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -136.02 140.78 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 31.350000000000001 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.38 142.93 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.200000000000003 110.878 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -136.4 136.29 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.430000000000007 110.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.68 119.89 25.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 62.140000000000001 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -123.37 122.74 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.907 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 119.63 27.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 61.140000000000001 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 17' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -125.13 132.89 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.150000000000006 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -133.97 137.42 44.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 63.009999999999998 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.85 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 71.230000000000004 111.143 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -135.86 126.53 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 62.420000000000002 110.857 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -128.67 130.58 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.400000000000006 110.825 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.89 138.31 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.875 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -144.23 132.91 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.030000000000001 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -144.1 116.99 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -119.32 129.28 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.537 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.9 tm? -133.3 133.34 42.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 27' ' ' MET . . . . . 0.518 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -137.74 130.43 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.230000000000004 110.93 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -164.62 151.06 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.911 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 65.219999999999999 111.125 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 64.450000000000003 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 102' ' ' SER . . . . . 0.5 ' HA ' HG22 ' C' ' 29' ' ' THR . 6.9 t -76.96 157.08 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.813 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.54 127.15 10.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 63.329999999999998 110.935 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 104' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -134.63 137.02 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 53.32 112.465 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.619 ' HB ' HD13 ' A' ' 26' ' ' LEU . 4.7 t -127.68 128.06 44.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 73.319999999999993 111.21 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -127.09 124.22 38.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 125.27 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 111.171 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -132.04 136.49 47.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.864 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.63 140.81 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 51.210000000000001 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -134.14 127.83 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 75.540000000000006 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -120.6 134.67 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.219999999999999 110.805 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 112' ' ' LYS . . . . . 0.619 ' HE2' HD12 ' I' ' 114' ' ' LEU . 0.0 OUTLIER -133.6 128.53 35.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 63.409999999999997 110.82 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -129.56 127.59 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 42.100000000000001 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -127.33 133.02 50.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 74.409999999999997 110.908 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.07 109.51 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.010000000000005 110.841 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.21 130.31 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 64.329999999999998 110.873 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 117' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.34 141.43 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 74.120000000000005 110.853 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 131.9 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 63.039999999999999 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.71 123.38 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.439999999999998 111.148 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.83 125.36 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -134.95 126.76 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 63.219999999999999 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.27 143.99 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.911 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.9 m -140.01 156.8 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.5 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.96 134.02 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 73.049999999999997 110.963 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -131.43 126.67 35.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 71.340000000000003 110.855 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' J' ' 126' ' ' LEU . 7.4 tt -124.15 132.28 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.887 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' I' ' 126' ' ' LEU . 2.0 mmt -128.29 125.09 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 70.439999999999998 110.927 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.1 137.91 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 65.219999999999999 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 64.439999999999998 111.194 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 75.310000000000002 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.0 t -76.94 157.42 31.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 53.43 110.89 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.22 126.71 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.49 137.2 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 74.239999999999995 112.548 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -128.42 128.75 45.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 64.310000000000002 111.115 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -127.52 123.12 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 63.25 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 107' ' ' THR . . . . . 0.442 HG23 ' HB3' ' B' ' 24' ' ' GLN . 1.3 t -122.8 124.07 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 73.219999999999999 111.109 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -135.19 132.42 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.447 . . . . 70.420000000000002 110.84 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.16 141.73 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.907 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -134.09 127.2 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.140000000000001 110.945 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 37.1 t -120.62 135.77 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 64.409999999999997 110.827 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.674 ' HE2' HD12 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -135.73 128.32 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 74.430000000000007 110.876 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 129.77 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.099999999999994 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -128.53 134.0 48.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 53.100000000000001 110.949 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.2 110.54 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.848 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.56 124.91 35.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 53.149999999999999 110.884 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.25 142.52 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.79 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 134.1 45.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.822 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.65 123.85 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.030000000000001 111.083 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.0 125.87 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 75.450000000000003 110.848 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.78 128.93 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -141.79 143.54 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.45 154.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 64.230000000000004 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 124' ' ' GLN . . . . . 0.593 ' CB ' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -137.23 135.85 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.200000000000003 110.908 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -126.24 126.49 44.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 70.25 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' I' ' 126' ' ' LEU . 7.2 tt -124.72 129.76 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.837 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 127' ' ' MET . . . . . 0.472 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.9 mmt -129.77 128.16 41.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.813 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 128' ' ' ASN . . . . . 0.415 HD22 ' N ' ' J' ' 129' ' ' THR . 0.1 OUTLIER -129.48 136.39 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 42.100000000000001 110.825 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 129' ' ' THR . . . . . 0.415 ' N ' HD22 ' J' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.540000000000006 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -160.62 162.83 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.150000000000006 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 128.01 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.835 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.499 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -138.82 137.67 8.85 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.686 -0.769 . . . . 73.299999999999997 112.449 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.515 HG23 ' HG ' ' C' ' 26' ' ' LEU . 24.2 m -133.93 144.66 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 75.200000000000003 111.135 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -140.85 112.08 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 107' ' ' THR . . . . . 0.451 HG23 ' NE2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -111.56 118.39 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.510000000000005 111.151 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.07 125.21 34.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 61.420000000000002 110.893 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -134.44 132.35 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 54.130000000000003 110.937 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -129.03 133.72 47.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 73.409999999999997 110.968 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -131.76 133.97 45.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 63.009999999999998 110.893 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 112' ' ' LYS . . . . . 0.542 ' HZ1' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -131.23 130.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.040000000000006 110.881 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.53 115.03 16.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 72.209999999999994 110.93 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.542 HD12 ' HZ1' ' K' ' 112' ' ' LYS . 0.0 OUTLIER -119.59 124.27 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.919 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -128.31 109.72 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 63.530000000000001 110.87 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -123.74 122.55 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.150000000000006 110.888 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.0 137.63 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 152.35 49.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.209999999999994 110.87 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 119' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' C' ' 12' ' ' LYS . . . -147.32 134.67 20.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 71.239999999999995 111.13 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.52 121.94 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -127.1 117.36 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.120000000000005 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -137.65 141.39 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.869 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' C' ' 8' ' ' SER . 3.9 m -144.28 156.37 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 44.509999999999998 111.107 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -136.0 139.88 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.129999999999995 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -135.35 116.74 14.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.624 HD23 ' O ' ' K' ' 126' ' ' LEU . 0.3 OUTLIER -118.55 127.45 53.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 62.43 110.951 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.11 125.08 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 73.439999999999998 110.904 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.53 130.62 52.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.040000000000006 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 111.129 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 71.5 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -159.77 162.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.040000000000006 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.02 126.25 13.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 63.439999999999998 110.921 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.523 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -138.33 136.74 8.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.845 -0.693 . . . . 72.549999999999997 112.526 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 24.0 m -134.55 137.5 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 75.319999999999993 111.115 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -135.29 112.37 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.87 115.84 29.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 111.123 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 108' ' ' SER . . . . . 0.509 ' OG ' HG13 ' D' ' 23' ' ' VAL . 0.6 OUTLIER -132.21 124.31 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 62.25 110.867 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.73 135.46 38.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.150000000000006 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -126.11 132.96 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.430000000000007 110.913 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -130.97 134.41 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 52.329999999999998 110.816 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.46 130.73 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 51.219999999999999 110.853 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -129.49 115.22 17.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 110.894 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.482 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -120.67 124.16 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.450000000000003 110.904 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -126.11 109.42 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 63.409999999999997 110.897 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 6.8 p -123.81 123.37 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.841 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.692 ' HD2' HD13 ' D' ' 14' ' ' LEU . 0.1 OUTLIER -138.18 143.02 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 72.340000000000003 110.85 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 152.05 46.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 63.229999999999997 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.26 136.35 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -130.93 122.35 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -126.95 119.36 26.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.510000000000005 110.808 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -138.35 140.13 39.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.835 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' F' ' 8' ' ' SER . 6.9 m -144.02 155.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 73.140000000000001 111.169 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.5 140.83 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -133.72 120.01 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.649 HD21 HE22 ' F' ' 3' ' ' GLN . 0.2 OUTLIER -119.41 127.43 53.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 71.450000000000003 110.935 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 128.79 50.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.439999999999998 110.908 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.34 129.21 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.329999999999998 110.869 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 54.109999999999999 111.171 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 72.109999999999999 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 27.3 p -163.18 142.11 8.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.82 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.09 128.88 55.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.409999999999997 110.878 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.72 138.46 9.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 75.200000000000003 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -135.05 133.27 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 71.239999999999995 111.166 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.47 124.33 35.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.799 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 107' ' ' THR . . . . . 0.432 HG23 ' NE2' ' E' ' 24' ' ' GLN . 0.2 OUTLIER -119.11 118.93 32.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 71.439999999999998 111.186 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -128.6 130.32 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -132.05 140.07 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.340000000000003 110.865 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.41 127.82 38.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.966 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.85 134.17 48.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.409999999999997 110.878 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 112' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -133.2 129.98 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.400000000000006 110.908 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -128.16 114.98 17.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 110.921 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' H' ' 17' ' ' ARG . 0.1 OUTLIER -120.32 121.18 38.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.886 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -130.16 110.1 11.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.129999999999995 110.856 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -127.2 122.18 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 117' ' ' ARG . . . . . 0.546 ' CD ' HD13 ' G' ' 14' ' ' LEU . 3.2 ptm180 -135.54 138.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.400000000000006 110.944 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 146.95 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.219999999999999 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.46 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.510000000000005 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.33 124.14 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.25 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -128.18 121.1 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.804 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -140.84 142.99 34.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.349999999999994 110.926 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' E' ' 8' ' ' SER . 12.3 m -140.78 156.46 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 111.142 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.47 136.51 45.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -129.47 133.56 47.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 73.299999999999997 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.604 HD23 ' N ' ' M' ' 127' ' ' MET . 6.6 tt -131.97 133.89 45.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.099999999999994 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 127' ' ' MET . . . . . 0.604 ' N ' HD23 ' M' ' 126' ' ' LEU . 9.4 mmt -132.07 125.0 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 70.120000000000005 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.84 140.34 51.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 62.130000000000003 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.144 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 102' ' ' SER . . . . . 0.54 ' HA ' HG22 ' F' ' 29' ' ' THR . 26.7 p -162.87 141.38 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 62.520000000000003 110.873 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 125.22 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.219999999999999 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.95 136.45 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 54.030000000000001 112.454 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 105' ' ' THR . . . . . 0.404 HG22 ' HB3' ' F' ' 26' ' ' LEU . 5.3 t -132.86 136.66 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 73.019999999999996 111.184 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 106' ' ' PHE . . . . . 0.458 ' HE1' HG13 ' F' ' 23' ' ' VAL . 4.6 t80 -127.93 122.95 33.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.856 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 117.78 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 111.076 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -127.91 128.28 44.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -130.81 140.65 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.9 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.16 126.95 36.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 50.539999999999999 110.927 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 134.3 46.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.851 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 129.94 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 63.329999999999998 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -127.97 114.86 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 74.230000000000004 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.39 121.46 39.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.946 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -130.71 108.69 10.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 72.549999999999997 110.912 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -126.21 124.89 41.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 74.329999999999998 110.891 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 117' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' F' ' 14' ' ' LEU . 2.6 ptm180 -134.82 135.64 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 64.209999999999994 110.865 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 148.47 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.409999999999997 110.84 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.23 135.06 23.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 51.119999999999997 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.6 123.18 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.49 123.35 33.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 72.409999999999997 110.919 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -137.5 141.03 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 70.099999999999994 110.871 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.67 154.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 111.06 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -135.66 134.48 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.349999999999994 110.912 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.69 133.28 49.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 62.020000000000003 110.973 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.578 HD23 ' N ' ' N' ' 127' ' ' MET . 6.3 tt -132.24 132.1 42.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 62.420000000000002 110.885 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 127' ' ' MET . . . . . 0.578 ' N ' HD23 ' N' ' 126' ' ' LEU . 9.5 mmt -130.52 127.67 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.519999999999996 110.848 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.17 138.87 52.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 63.420000000000002 110.955 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.120000000000005 111.125 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 m170 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 65.400000000000006 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -80.37 138.89 36.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.420000000000002 110.92 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.38 136.54 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.350000000000001 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.441 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.47 140.49 9.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.711 . . . . 62.299999999999997 112.5 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.807 ' HB ' HD23 ' G' ' 26' ' ' LEU . 9.8 t -136.42 128.44 29.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 74.430000000000007 111.16 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.12 119.51 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 62.409999999999997 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 107' ' ' THR . . . . . 0.594 HG22 ' NE2' ' G' ' 24' ' ' GLN . 2.1 p -113.34 138.41 50.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.161 -0.472 . . . . 75.319999999999993 111.127 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -146.65 136.05 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -141.1 140.91 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 73.209999999999994 110.918 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.79 127.33 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 70.439999999999998 110.919 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -130.86 137.1 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 65.310000000000002 110.801 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.35 132.9 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.400000000000006 110.913 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -130.72 121.79 26.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 110.887 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -128.21 115.62 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 43.509999999999998 110.897 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.2 113.12 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.140000000000001 110.896 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.41 121.55 39.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 110.873 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.555 ' CD ' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.98 124.44 39.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.430000000000007 110.878 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -124.31 133.42 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.120000000000005 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.3 125.64 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.349999999999994 111.106 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.6 126.59 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.510000000000005 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.75 136.0 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.439999999999998 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -145.58 141.74 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.310000000000002 110.885 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.5 m -145.5 144.31 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.420000000000002 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -125.43 136.5 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.319999999999993 110.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -137.23 120.97 17.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 71.450000000000003 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' P' ' 126' ' ' LEU . 3.3 tt -127.33 132.42 50.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 110.958 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.64 124.09 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.894 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.33 135.59 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 64.510000000000005 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 111.146 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.823 0.344 . . . . 73.349999999999994 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.11 138.94 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -123.23 136.19 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.109999999999999 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.66 139.44 8.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 44.140000000000001 112.471 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -132.61 132.22 42.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 64.219999999999999 111.125 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -127.04 116.1 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.450000000000003 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 p -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.040000000000006 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -145.69 136.89 24.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 44.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -138.89 142.5 38.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.540000000000006 110.847 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -137.85 127.46 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.310000000000002 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -132.19 136.08 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.109999999999999 110.818 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.37 133.12 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 110.878 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -131.63 121.53 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 64.540000000000006 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' O' ' 114' ' ' LEU . 0.0 OUTLIER -124.66 118.38 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 74.439999999999998 110.944 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.51 111.64 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 65.340000000000003 110.889 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.8 122.23 40.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 73.010000000000005 110.858 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 123.14 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.209999999999994 110.89 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -117.92 137.22 52.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.210000000000001 110.834 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.62 123.9 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.066 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.32 127.81 26.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.329999999999998 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.43 134.4 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 53.310000000000002 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -143.62 142.59 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 53.210000000000001 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 11.6 m -145.86 143.43 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 54.549999999999997 111.04 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.8 136.42 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.841 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -137.13 121.71 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.530000000000001 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' O' ' 126' ' ' LEU . 2.7 tt -127.41 133.45 49.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 63.439999999999998 110.959 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.3 125.58 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.824 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.319999999999993 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.540000000000006 111.161 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.843 0.354 . . . . 65.120000000000005 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -124.84 121.74 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.019999999999996 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -134.64 149.58 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.430000000000007 111.151 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.593 ' HA ' HG12 ' I' ' 123' ' ' VAL . 21.7 m -140.86 135.35 31.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 54.539999999999999 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.64 122.16 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 74.040000000000006 110.828 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.79 126.72 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.409999999999997 110.901 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.31 132.56 51.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 65.329999999999998 110.843 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 122.79 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 75.400000000000006 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.69 135.92 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.099999999999994 110.913 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 115.65 22.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.943 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.36 123.21 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.530000000000001 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.96 140.53 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 73.219999999999999 110.891 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 HH21 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -139.63 126.18 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.928 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -125.25 120.74 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.109999999999999 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.52 142.67 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 35.140000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.83 125.03 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.19 138.64 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.53 139.39 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.863 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.73 123.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 74.230000000000004 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.24 136.7 45.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 74.120000000000005 110.858 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -141.84 132.72 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 74.510000000000005 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.792 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.2 pp -133.32 147.3 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 63.020000000000003 110.919 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 146.11 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 71.209999999999994 110.922 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -163.52 175.75 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.71 HG23 ' N ' ' I' ' 101' ' ' HIS . 1.7 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 111.208 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.864 0.364 . . . . 62.350000000000001 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.86 157.15 40.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 64.230000000000004 110.812 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.43 133.7 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 75.140000000000001 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.04 140.58 11.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 64.319999999999993 112.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -129.93 117.84 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 54.210000000000001 111.093 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -125.74 125.03 42.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -129.43 150.44 50.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 60.420000000000002 111.108 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -138.15 135.2 35.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.099999999999994 110.872 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.92 122.05 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.319999999999993 110.83 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.17 124.95 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 134.12 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 74.519999999999996 110.865 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 128.16 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.931 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.96 134.34 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 71.540000000000006 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 112.76 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 73.439999999999998 110.957 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.62 122.24 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.349999999999994 110.844 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.79 139.16 41.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 51.109999999999999 110.873 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.38 122.08 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 110.876 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -128.01 123.46 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.19 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.150000000000006 111.05 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.66 124.08 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 63.229999999999997 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.37 140.76 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 141.18 46.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 110.821 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' J' ' 108' ' ' SER . 57.6 t -143.8 127.11 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 55.240000000000002 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.99 140.18 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 110.954 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -138.4 135.2 35.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -133.09 147.2 52.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 75.510000000000005 110.939 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 146.55 39.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 73.209999999999994 110.87 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.24 177.04 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.239999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 61.100000000000001 111.154 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 72.209999999999994 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.46 151.2 44.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 51.539999999999999 110.849 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.61 131.03 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 63.009999999999998 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.64 144.95 17.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 55.020000000000003 112.522 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -129.25 143.53 50.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 71.150000000000006 111.173 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.44 119.62 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 75.109999999999999 110.835 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.77 138.71 53.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.319999999999993 111.096 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.1 OUTLIER -133.55 134.03 42.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 64.239999999999995 110.858 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -134.99 132.59 38.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 72.120000000000005 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.3 123.31 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.420000000000002 110.969 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 134.63 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.409999999999997 110.868 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.71 123.16 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.140000000000001 110.979 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 125.88 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 42.210000000000001 110.898 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.51 117.55 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 64.040000000000006 110.938 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -121.57 122.29 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.299999999999997 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 142.83 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.120000000000005 110.828 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.74 130.82 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 74.530000000000001 110.812 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -127.25 128.43 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.95 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.64 139.07 53.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 70.319999999999993 111.128 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -140.44 123.84 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.863 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.7 136.38 53.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.837 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -127.71 129.36 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -140.17 123.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 61.25 111.112 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.67 ' HB2' HG23 ' K' ' 107' ' ' THR . 1.7 tm0? -153.84 136.86 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.482 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 2.2 p-90 -137.16 140.65 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.915 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.847 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -123.0 131.98 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 110.936 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' MET . . . . . 0.585 ' N ' HD22 ' C' ' 26' ' ' LEU . 1.6 ptt? -126.75 132.46 51.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.310000000000002 110.899 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.33 177.01 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 73.409999999999997 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 65.109999999999999 111.128 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.439999999999998 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.44 150.54 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 110.857 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.0 129.03 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.349999999999994 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 4' ' ' GLY . . . . . 0.423 ' HA3' ' HE2' ' J' ' 127' ' ' MET . . . -141.46 140.15 10.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 45.229999999999997 112.458 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -133.34 140.35 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 72.450000000000003 111.159 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -142.73 122.37 13.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.239999999999995 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.5 139.03 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 61.32 111.078 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.653 ' HA ' HG12 ' J' ' 123' ' ' VAL . 0.0 OUTLIER -130.33 134.82 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 110.836 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -137.92 133.56 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 75.340000000000003 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -138.19 123.42 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 70.400000000000006 110.937 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 135.01 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.892 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 125.11 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.93 125.44 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.964 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.411 HD12 HH11 ' J' ' 117' ' ' ARG . 0.3 OUTLIER -112.76 116.96 30.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.964 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -121.39 122.19 39.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.837 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.47 141.44 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.897 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.557 ' CD ' HD11 ' I' ' 114' ' ' LEU . 6.1 ptm180 -141.14 129.03 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 72.209999999999994 110.801 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -129.48 129.29 44.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.834 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -125.71 138.41 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.430000000000007 111.133 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.19 123.79 15.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 51.439999999999998 110.924 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.4 138.59 54.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 74.120000000000005 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -127.19 129.29 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 64.439999999999998 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' VAL . . . . . 0.757 HG13 ' OG ' ' L' ' 108' ' ' SER . 17.7 t -140.84 126.25 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 64.239999999999995 111.153 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -155.14 132.63 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 2.1 p-90 -138.11 138.94 39.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 70.319999999999993 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.616 HD23 ' OG1' ' J' ' 105' ' ' THR . 3.3 tm? -122.9 131.31 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.847 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -127.14 128.65 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 110.902 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.86 177.26 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 75.019999999999996 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 65.049999999999997 111.166 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.846 0.355 . . . . 64.510000000000005 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -159.9 162.82 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 45.200000000000003 110.841 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -158.46 157.88 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 110.87 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.75 128.5 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 60.049999999999997 112.49 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -120.3 131.34 54.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 63.450000000000003 111.159 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -136.05 120.36 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.239999999999995 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 144.8 50.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 72.030000000000001 111.115 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -141.26 134.8 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.420000000000002 110.838 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.33 121.86 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 72.349999999999994 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.26 122.03 25.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.340000000000003 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.09 141.46 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.299999999999997 110.849 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.86 123.99 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.530000000000001 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.25 124.46 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.049999999999997 110.852 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.01 114.68 26.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 75.219999999999999 110.909 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.83 122.64 44.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 64.230000000000004 110.847 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -134.46 150.35 50.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.475 ' HE ' HD22 ' M' ' 114' ' ' LEU . 1.2 ptt85 -144.52 141.7 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 132.79 39.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.838 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 19' ' ' ALA . . . . . 0.529 ' HB2' ' NZ ' ' K' ' 112' ' ' LYS . . . -130.62 139.36 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.94 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 72.409999999999997 110.88 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -138.24 126.14 22.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 54.350000000000001 110.88 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.65 126.06 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.439999999999998 110.853 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' VAL . . . . . 0.655 HG13 ' OG ' ' K' ' 108' ' ' SER . 46.6 t -130.79 132.15 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 71.530000000000001 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -139.75 118.38 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.030000000000001 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -120.21 131.13 54.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 70.319999999999993 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.609 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.1 tm? -125.19 132.74 52.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.908 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.478 ' H ' HD22 ' E' ' 26' ' ' LEU . 3.4 ptp -130.33 133.26 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.886 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -162.91 173.32 13.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.879 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.129999999999995 111.175 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -159.49 162.38 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.857 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -156.75 156.0 32.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 131.34 3.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 63.310000000000002 112.46 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -118.3 130.88 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 65.140000000000001 111.125 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.05 124.84 23.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.41 143.41 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 73.129999999999995 111.151 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -135.71 135.14 39.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 62.219999999999999 110.829 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 120.81 12.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 64.310000000000002 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -130.1 123.58 30.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.129999999999995 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.44 138.03 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 64.230000000000004 110.833 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.82 123.73 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 54.240000000000002 110.899 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.17 125.2 36.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 60.219999999999999 110.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' N' ' 117' ' ' ARG . 4.9 mp -114.55 111.87 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 71.319999999999993 110.962 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.37 121.96 40.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.420000000000002 110.912 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -135.54 145.85 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 62.210000000000001 110.825 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -145.65 137.76 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 133.67 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 72.230000000000004 110.836 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 19' ' ' ALA . . . . . 0.656 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.84 141.58 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 54.43 111.102 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -142.91 134.74 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.998 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -137.24 129.52 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 50.020000000000003 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.62 125.89 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.53 127.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 111.102 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -143.16 115.43 8.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 73.230000000000004 110.865 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 24.2 t-105 -120.15 128.12 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 110.957 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.507 HD13 ' C ' ' F' ' 26' ' ' LEU . 3.0 tm? -125.8 132.41 52.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 50.020000000000003 110.954 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' F' ' 26' ' ' LEU . 3.4 ptp -132.12 130.2 40.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.439999999999998 110.863 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -164.69 173.05 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.150000000000006 110.898 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 111.186 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.828 0.347 . . . . 73.109999999999999 110.828 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.883 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.33 158.61 34.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 4' ' ' GLY . . . . . 0.402 ' CA ' ' HE2' ' O' ' 127' ' ' MET . . . -146.65 128.03 2.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 64.209999999999994 112.425 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -119.74 126.08 50.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 41.32 111.126 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -127.64 112.34 14.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.98 144.29 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 111.172 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.637 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -144.74 134.95 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.814 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.37 117.43 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 73.510000000000005 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -128.52 124.18 35.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.909 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -138.01 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.400000000000006 110.889 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 149.36 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.46 139.95 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 73.310000000000002 110.974 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' O' ' 117' ' ' ARG . 0.3 OUTLIER -128.5 123.26 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 72.299999999999997 110.928 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.84 123.05 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.25 110.827 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -132.44 120.07 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 65.109999999999999 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 17' ' ' ARG . . . . . 0.602 ' CD ' HD11 ' P' ' 114' ' ' LEU . 7.4 ptm180 -123.9 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 73.030000000000001 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 129.76 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.239999999999995 110.949 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 111.138 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -140.27 134.88 31.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -140.17 123.43 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.030000000000001 110.899 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -117.88 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.27 129.49 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.150000000000006 111.162 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.53 122.46 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.219999999999999 110.933 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.46 130.86 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.510000000000005 110.916 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.3 124.85 35.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 74.219999999999999 110.886 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.47 131.35 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 55.310000000000002 110.86 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.28 144.02 7.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.530000000000001 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 29' ' ' THR . . . . . 0.434 HG23 ' O ' ' M' ' 101' ' ' HIS . 47.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 111.186 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 71.040000000000006 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -160.36 162.09 33.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.540000000000006 110.869 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.23 153.22 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.109999999999999 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.44 129.55 2.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 64.030000000000001 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p -117.6 124.63 49.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 74.120000000000005 111.059 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.219999999999999 110.867 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 7' ' ' THR . . . . . 0.618 HG23 ' HB2' ' P' ' 124' ' ' GLN . 0.7 OUTLIER -121.0 147.03 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 74.230000000000004 111.15 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -138.81 135.24 34.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.040000000000006 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.84 116.2 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 74.049999999999997 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -127.43 125.35 40.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 72.519999999999996 110.929 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -135.59 145.97 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 31.350000000000001 110.831 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -153.02 149.28 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.200000000000003 110.903 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.29 139.21 35.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 71.430000000000007 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 122.5 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 62.140000000000001 110.939 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -124.87 122.64 37.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -131.67 119.74 21.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 61.140000000000001 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.36 138.67 54.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 130.01 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 63.009999999999998 110.868 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.51 137.37 53.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.91 135.71 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 62.420000000000002 110.902 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -141.09 123.89 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.400000000000006 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -116.28 130.14 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -131.64 128.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 65.030000000000001 111.147 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.12 117.0 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.1 129.11 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.574 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.4 OUTLIER -130.56 125.68 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 74.439999999999998 110.942 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.47 129.18 46.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.945 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.71 143.58 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 64.129999999999995 110.918 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 29' ' ' THR . . . . . 0.522 HG23 ' HA ' ' P' ' 102' ' ' SER . 41.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 101' ' ' HIS . . . . . 0.71 ' N ' HG23 ' A' ' 29' ' ' THR . 12.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.33 . . . . 64.450000000000003 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -164.31 158.57 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.907 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -111.1 127.88 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 63.329999999999998 110.975 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.63 139.1 10.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 53.32 112.514 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.792 HG23 ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -132.5 125.0 29.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 73.319999999999993 111.13 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -122.27 117.08 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -119.91 126.18 50.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 111.184 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 98.9 p -132.9 128.81 37.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 72.239999999999995 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -131.22 139.22 49.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 51.210000000000001 110.831 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.3 133.74 39.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.951 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -133.65 137.09 45.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 74.219999999999999 110.885 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.76 128.62 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.409999999999997 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -127.34 115.84 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 42.100000000000001 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 74.409999999999997 110.953 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -139.54 119.28 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 65.010000000000005 110.88 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.1 p -135.27 138.57 43.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.329999999999998 110.896 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.96 142.67 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 110.854 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.23 128.52 50.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 63.039999999999999 110.868 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.05 122.92 23.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 65.439999999999998 111.143 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -144.26 122.04 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 64.120000000000005 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -127.8 122.33 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -137.28 141.87 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 64.120000000000005 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 8' ' ' SER . 6.3 m -141.72 159.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.5 111.186 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -135.69 141.95 45.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.049999999999997 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -142.39 115.12 8.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.918 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.41 ' C ' HD23 ' I' ' 126' ' ' LEU . 1.8 tt -121.98 136.31 54.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.931 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 1.7 mmt -131.5 123.96 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 70.439999999999998 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -122.18 130.38 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.219999999999999 110.909 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 111.159 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.829 0.347 . . . . 75.310000000000002 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -165.57 156.76 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.846 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.82 126.34 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 110.87 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 104' ' ' GLY . . . . . 0.526 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -137.03 136.62 8.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 74.239999999999995 112.4 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 105' ' ' THR . . . . . 0.616 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.7 OUTLIER -132.69 122.29 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 64.310000000000002 111.163 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -123.68 115.78 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 63.25 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -120.32 125.83 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.219999999999999 111.097 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 108' ' ' SER . . . . . 0.43 ' HB2' HG22 ' B' ' 23' ' ' VAL . 98.1 p -134.18 124.79 26.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.95 141.68 47.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 71.409999999999997 110.874 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.62 135.36 44.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -129.47 138.81 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 64.409999999999997 110.903 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 129.34 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.430000000000007 110.902 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -125.16 115.4 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.955 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -118.94 136.65 53.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 53.100000000000001 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.89 119.51 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.865 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.2 p -136.9 136.05 38.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 53.149999999999999 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 117' ' ' ARG . . . . . 0.411 HH11 HD12 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -144.69 141.33 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.219999999999999 110.932 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -124.39 130.72 53.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.109999999999999 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.42 125.36 34.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 111.134 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.48 123.68 16.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.450000000000003 110.896 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -130.75 122.41 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.010000000000005 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.29 139.37 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 110.85 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.8 m -142.3 156.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.230000000000004 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -137.8 144.09 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.200000000000003 110.982 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.21 118.77 11.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -120.66 137.45 54.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 73.310000000000002 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 127' ' ' MET . . . . . 0.423 ' HE2' ' HA3' ' D' ' 4' ' ' GLY . 1.8 mmt -130.35 125.67 35.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 72.319999999999993 110.881 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.04 130.11 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 42.100000000000001 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.162 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 74.540000000000006 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 91.7 p -149.82 169.47 21.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.150000000000006 110.903 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.96 126.96 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.209999999999994 110.878 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.539 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -138.67 137.36 8.65 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.713 -0.756 . . . . 73.299999999999997 112.493 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.847 ' HB ' HD23 ' C' ' 26' ' ' LEU . 10.8 t -126.66 128.43 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 75.200000000000003 111.196 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 106' ' ' PHE . . . . . 0.482 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 23.5 t80 -120.68 119.99 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.400000000000006 110.865 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 107' ' ' THR . . . . . 0.67 HG23 ' HB2' ' C' ' 24' ' ' GLN . 2.5 m -126.36 124.87 41.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 71.510000000000005 111.106 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 108' ' ' SER . . . . . 0.655 ' OG ' HG13 ' E' ' 23' ' ' VAL . 7.9 m -143.09 144.66 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 61.420000000000002 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.1 144.86 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.130000000000003 110.93 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -130.81 132.07 45.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 73.409999999999997 110.993 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -129.84 134.73 47.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 63.009999999999998 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 112' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -135.6 134.73 39.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 73.040000000000006 110.947 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -136.49 117.06 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 72.209999999999994 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.89 131.5 56.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.932 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.41 113.99 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 63.530000000000001 110.857 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.85 126.98 37.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 72.150000000000006 110.867 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' K' ' 119' ' ' ALA . 7.9 ptm180 -130.98 133.25 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 110.832 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.18 127.13 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 119' ' ' ALA . . . . . 0.478 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -134.04 123.39 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 71.239999999999995 111.077 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.72 126.47 16.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.030000000000001 110.893 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.81 136.39 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.845 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.33 145.3 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.9 m -142.38 150.57 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 44.509999999999998 111.165 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.05 139.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.129999999999995 110.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -132.44 134.47 45.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.99 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.698 HD21 ' OD1' ' K' ' 128' ' ' ASN . 7.3 tt -139.26 136.26 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 62.43 110.885 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -138.33 123.58 19.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 110.856 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 128' ' ' ASN . . . . . 0.698 ' OD1' HD21 ' K' ' 126' ' ' LEU . 2.2 m120 -124.28 134.72 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 72.040000000000006 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.019999999999996 111.199 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.807 0.337 . . . . 71.5 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 171.76 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 64.040000000000006 110.834 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.54 125.39 54.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 63.439999999999998 110.962 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.413 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -139.83 136.17 7.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 72.549999999999997 112.521 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.431 ' HB ' HD23 ' F' ' 26' ' ' LEU . 10.5 t -129.83 127.72 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 75.319999999999993 111.092 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -119.16 120.46 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.530000000000001 110.83 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -122.08 125.32 45.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 71.319999999999993 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 108' ' ' SER . . . . . 0.757 ' OG ' HG13 ' D' ' 23' ' ' VAL . 7.3 m -144.5 140.97 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 62.25 110.862 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.73 145.82 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 73.150000000000006 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.43 129.9 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.896 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -128.18 134.43 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 52.329999999999998 110.882 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.59 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -135.28 134.96 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 51.219999999999999 110.922 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -134.32 116.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.340000000000003 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -117.73 131.19 56.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 72.450000000000003 110.889 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.05 113.94 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.409999999999997 110.858 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.8 124.79 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.832 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.56 129.6 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 72.340000000000003 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 127.18 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 63.229999999999997 110.835 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.62 125.77 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 111.09 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.86 127.1 21.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.959 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.42 139.39 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.510000000000005 110.942 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -143.98 142.67 30.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.319999999999993 110.897 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.76 146.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 73.140000000000001 111.098 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.87 139.14 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -132.66 136.61 46.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.669 HD13 HD13 ' K' ' 126' ' ' LEU . 5.9 tt -139.02 135.64 34.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.450000000000003 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -135.6 125.41 25.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 128' ' ' ASN . . . . . 0.632 ' OD1' HD21 ' L' ' 126' ' ' LEU . 2.1 m120 -124.25 136.06 53.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 110.879 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.109999999999999 111.184 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' M' M ' 101' ' ' HIS . . . . . 0.434 ' O ' HG23 ' G' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.338 . . . . 72.109999999999999 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 142.12 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -103.79 127.11 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.929 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.514 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -139.62 139.08 9.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 75.200000000000003 112.517 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.609 ' HB ' HD23 ' E' ' 26' ' ' LEU . 3.3 t -131.82 127.2 36.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 71.239999999999995 111.143 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -121.47 124.8 45.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 72.400000000000006 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 120.58 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.439999999999998 111.129 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.84 128.22 46.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.859 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.23 119.16 23.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 74.340000000000003 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.41 129.19 56.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.129999999999995 110.919 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -133.4 134.54 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 65.409999999999997 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.95 133.52 33.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 72.400000000000006 110.916 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.1 122.23 23.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.099999999999994 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -123.59 131.86 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 75.109999999999999 110.927 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.68 109.56 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.843 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 122.12 28.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.899 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 134.63 47.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.871 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.88 128.64 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 63.219999999999999 110.892 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.87 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.510000000000005 111.098 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.95 124.5 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.914 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -126.57 120.28 29.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 72.129999999999995 110.897 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -138.33 143.5 39.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 73.349999999999994 110.979 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.4 m -142.78 154.13 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.03 143.42 50.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -144.14 126.01 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.299999999999997 110.906 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' N' ' 126' ' ' LEU . 5.5 tt -131.49 129.26 40.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.48 128.69 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 70.120000000000005 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -131.64 134.61 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 62.130000000000003 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.136 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' N' N ' 101' ' ' HIS . . . . . 0.405 ' CG ' ' HG1' ' H' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.344 . . . . 74.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 141.76 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 62.520000000000003 110.78 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.04 125.06 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.851 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.574 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.67 137.87 8.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 54.030000000000001 112.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 105' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' F' ' 26' ' ' LEU . 3.9 t -130.35 130.93 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 73.019999999999996 111.17 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -119.18 130.01 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.329999999999998 110.91 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.61 118.24 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.340000000000003 111.178 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 124.52 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 63.25 110.916 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.51 120.11 22.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.14 127.39 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 50.539999999999999 110.93 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 13.2 m -133.95 135.35 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.349999999999994 110.786 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.656 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.6 OUTLIER -140.61 133.65 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 63.329999999999998 110.923 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -133.64 123.53 25.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -124.12 133.65 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.319999999999993 110.881 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.75 110.15 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.549999999999997 110.883 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.16 122.47 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.861 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 117' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -131.29 134.91 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.209999999999994 110.886 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.36 130.89 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.409999999999997 110.867 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.65 42.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 51.119999999999997 111.08 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -137.0 125.59 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 110.868 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -129.28 120.91 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.409999999999997 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -137.06 143.64 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 70.099999999999994 110.894 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.84 151.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.14 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.63 144.75 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.349999999999994 110.952 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -142.5 128.8 19.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 62.020000000000003 110.907 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' M' ' 126' ' ' LEU . 4.3 tt -129.46 129.47 44.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.420000000000002 110.956 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.16 133.18 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.519999999999996 110.867 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.95 132.92 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 63.420000000000002 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.120000000000005 111.127 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m170 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.735 0.302 . . . . 65.400000000000006 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 44.6 m -76.52 138.85 40.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 110.848 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.65 140.58 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 62.350000000000001 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.28 140.45 8.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 62.299999999999997 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.9 t -132.41 135.0 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 111.165 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -128.87 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 62.409999999999997 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 127.8 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.319999999999993 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.9 126.85 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 110.931 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -129.01 115.45 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 73.209999999999994 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -111.77 129.5 56.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.86 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.11 134.64 36.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 65.310000000000002 110.873 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 135.37 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 71.400000000000006 110.84 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.84 126.1 29.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.936 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' P' ' 114' ' ' LEU . 0.2 OUTLIER -129.76 123.17 30.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 43.509999999999998 110.905 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.78 114.27 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.852 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.0 124.35 30.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 64.140000000000001 110.797 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' G' ' 14' ' ' LEU . 7.7 ptm180 -130.7 138.9 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.13 136.44 52.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 70.120000000000005 110.916 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 124.05 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.349999999999994 111.101 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -131.99 122.59 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.510000000000005 110.868 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -134.39 121.59 21.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.55 143.04 39.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 71.310000000000002 110.888 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' G' ' 8' ' ' SER . 13.8 m -141.0 159.56 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 75.420000000000002 111.162 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.48 137.44 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.319999999999993 110.898 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 122.86 22.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 71.450000000000003 110.924 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' P' ' 126' ' ' LEU . 8.4 tt -123.75 130.86 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.230000000000004 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.402 ' HE2' ' CA ' ' G' ' 4' ' ' GLY . 5.6 mmt -127.03 125.2 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.902 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -126.91 131.99 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 64.510000000000005 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 111.161 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 73.349999999999994 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 102' ' ' SER . . . . . 0.522 ' HA ' HG23 ' H' ' 29' ' ' THR . 45.1 m -75.37 139.11 42.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.794 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -120.28 139.98 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.15 7.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 44.140000000000001 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 105' ' ' THR . . . . . 0.413 HG22 ' HB3' ' H' ' 26' ' ' LEU . 4.8 t -129.57 136.88 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 64.219999999999999 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -130.08 127.83 40.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.450000000000003 110.917 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.29 127.09 45.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 72.040000000000006 111.132 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.05 127.08 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 44.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -128.73 114.81 17.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 71.540000000000006 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.92 129.25 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 75.310000000000002 110.945 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.26 134.41 36.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 54.109999999999999 110.86 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.32 134.97 36.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 110.956 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.12 126.13 31.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 64.540000000000006 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -128.65 123.81 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.942 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.32 113.08 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 65.340000000000003 110.916 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.17 127.28 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 73.010000000000005 110.877 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 117' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' P' ' 119' ' ' ALA . 7.6 ptm180 -129.95 140.11 50.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.209999999999994 110.89 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.6 138.24 54.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.210000000000001 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -133.2 123.23 25.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 111.128 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -132.53 123.21 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -138.51 119.43 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.310000000000002 110.91 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -138.8 142.53 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 53.210000000000001 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 17.7 m -142.72 156.37 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.549999999999997 111.112 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 124' ' ' GLN . . . . . 0.618 ' HB2' HG23 ' H' ' 7' ' ' THR . 0.2 OUTLIER -139.75 134.87 32.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 71.209999999999994 110.892 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.79 123.55 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.530000000000001 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' O' ' 126' ' ' LEU . 8.8 tt -122.36 132.67 54.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.907 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 127' ' ' MET . . . . . 0.404 ' N ' HD23 ' P' ' 126' ' ' LEU . 5.6 mmt -125.45 127.63 46.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.109999999999999 110.915 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -124.7 133.4 53.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 70.319999999999993 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.540000000000006 111.095 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 65.120000000000005 111.153 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.58 112.49 14.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 65.019999999999996 110.812 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 m -127.03 148.14 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 74.430000000000007 111.169 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.612 ' HA ' HG12 ' I' ' 123' ' ' VAL . 10.9 t -143.36 135.15 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 54.539999999999999 110.785 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.98 137.86 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 74.040000000000006 110.904 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -146.1 124.1 12.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.409999999999997 110.917 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 124.75 25.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 65.329999999999998 110.871 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -136.79 130.79 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 75.400000000000006 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.21 150.67 51.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' I' ' 117' ' ' ARG . 3.1 pp -139.08 130.14 26.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.905 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.21 122.27 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.530000000000001 110.906 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.18 138.58 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.219999999999999 110.922 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -137.16 127.53 26.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.847 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -124.8 121.21 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 65.109999999999999 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.98 139.14 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 35.140000000000001 111.105 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -138.98 124.19 19.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.43 123.34 47.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.23 125.25 43.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.019999999999996 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -141.28 130.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.230000000000004 111.155 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.09 149.18 47.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.120000000000005 110.924 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -144.47 132.32 21.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 74.510000000000005 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.748 HD12 ' O ' ' I' ' 104' ' ' GLY . 61.2 tp -124.23 137.67 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 63.020000000000003 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.485 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 3.6 ptp -130.38 135.12 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.914 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.01 176.89 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 75.219999999999999 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.145 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.813 0.339 . . . . 62.350000000000001 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.05 161.89 41.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 64.230000000000004 110.879 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -165.84 162.48 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.888 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.07 136.84 5.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 64.319999999999993 112.491 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -124.21 121.49 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 54.210000000000001 111.167 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.35 119.08 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.209999999999994 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.403 HG23 ' HB3' ' J' ' 124' ' ' GLN . 2.4 m -120.19 149.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 60.420000000000002 111.15 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -139.38 135.32 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 72.099999999999994 110.869 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.13 136.85 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 110.936 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -144.46 125.46 14.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 75.430000000000007 110.91 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.29 127.63 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.519999999999996 110.8 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -134.1 134.37 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 74.129999999999995 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.8 147.3 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 71.540000000000006 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.37 126.47 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.92 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.37 122.97 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 73.349999999999994 110.955 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.03 137.45 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 51.109999999999999 110.83 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -136.66 124.54 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.329999999999998 110.822 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.87 122.38 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.824 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -127.29 139.28 53.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.150000000000006 111.109 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -138.95 125.08 20.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 63.229999999999997 110.945 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.52 126.42 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.845 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -122.98 124.97 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.510000000000005 110.856 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.429 HG13 ' OG ' ' J' ' 108' ' ' SER . 93.6 t -142.27 127.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 55.240000000000002 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 149.89 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.329999999999998 110.919 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -143.47 131.74 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.916 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.44 138.25 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.510000000000005 110.935 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -129.95 135.06 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 110.897 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -155.68 176.83 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 61.100000000000001 111.105 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 72.209999999999994 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' SER . . . . . 0.592 ' CB ' HG23 ' K' ' 129' ' ' THR . 1.2 p -154.05 156.05 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 110.918 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.08 150.52 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.009999999999998 110.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' GLY . . . . . 0.486 ' HA3' ' HE3' ' K' ' 127' ' ' MET . . . -139.96 134.22 6.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 55.020000000000003 112.515 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -125.65 119.75 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 71.150000000000006 111.217 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 113.5 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -127.97 147.31 50.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 70.319999999999993 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.654 ' HA ' HG12 ' K' ' 123' ' ' VAL . 9.1 m -136.16 135.31 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.239999999999995 110.786 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 121.53 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 72.120000000000005 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -124.07 129.65 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.956 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -134.27 138.91 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 64.409999999999997 110.839 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -148.3 139.44 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 75.140000000000001 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -137.1 136.04 37.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 42.210000000000001 110.916 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 126.86 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 64.040000000000006 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.71 126.22 32.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 72.299999999999997 110.893 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 122.02 18.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.881 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.428 ' NE ' HD11 ' L' ' 114' ' ' LEU . 7.8 ptm180 -125.91 136.46 53.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.530000000000001 110.887 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -130.16 136.76 49.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 73.129999999999995 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.25 131.46 45.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.319999999999993 111.076 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.51 124.31 33.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.908 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.79 122.0 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.319999999999993 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -124.13 119.32 29.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.843 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.23 134.36 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 61.25 111.094 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -143.28 127.54 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.25 110.978 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -123.46 128.83 50.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 74.239999999999995 110.914 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.696 HD23 ' O ' ' K' ' 104' ' ' GLY . 0.4 OUTLIER -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.549999999999997 110.937 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 130.1 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.874 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -164.49 154.02 13.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 65.109999999999999 111.187 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 75.439999999999998 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -153.35 156.0 37.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.859 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.68 147.3 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.911 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.32 134.45 5.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 45.229999999999997 112.525 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -123.83 118.74 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 72.450000000000003 111.142 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.17 119.25 23.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 64.239999999999995 110.823 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -123.81 146.53 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 61.32 111.1 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.616 ' HA ' HG12 ' J' ' 123' ' ' VAL . 8.7 m -133.48 135.57 44.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.450000000000003 110.84 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.55 119.17 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 110.871 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -124.09 129.5 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -133.86 140.52 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.037 -0.529 . . . . 64.400000000000006 110.864 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -144.86 140.39 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -135.61 135.9 40.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 74.310000000000002 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 126.27 35.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.133 -0.485 . . . . 73.319999999999993 110.898 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.05 126.99 35.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.785 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 119.4 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 74.310000000000002 110.925 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -124.56 133.8 53.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -133.57 137.17 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.5 131.92 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 111.091 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.65 125.04 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 51.439999999999998 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.01 123.8 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.37 118.66 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 64.439999999999998 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.88 133.43 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 64.239999999999995 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLN . . . . . 0.526 ' HB3' HG23 ' L' ' 107' ' ' THR . 1.5 tp-100 -143.15 127.7 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 110.885 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -125.5 131.11 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 70.319999999999993 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' J' ' 105' ' ' THR . 0.4 OUTLIER -132.33 139.99 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.913 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.9 129.55 20.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.877 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -165.31 154.12 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 65.049999999999997 111.104 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 64.510000000000005 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.93 156.1 41.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 45.200000000000003 110.893 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -157.2 140.36 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.0 128.23 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 60.049999999999997 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 5.8 p -121.62 122.28 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.329 . . . . 63.450000000000003 111.185 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.93 112.69 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 75.239999999999995 110.843 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -128.88 148.9 50.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.030000000000001 111.126 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.636 ' HA ' HG12 ' M' ' 123' ' ' VAL . 68.8 m -141.22 135.32 30.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.838 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.21 119.7 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 110.873 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -123.48 122.86 39.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 63.340000000000003 110.919 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 140.66 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.299999999999997 110.927 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -152.69 135.2 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -131.15 135.53 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 115.0 18.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.219999999999999 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.22 122.69 43.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 64.230000000000004 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.35 119.0 20.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.851 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.492 HH11 HD11 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -131.3 139.53 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 74.129999999999995 110.856 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.9 145.69 42.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.798 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.5 143.34 50.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 111.071 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.35 134.01 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -139.93 136.69 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 54.350000000000001 110.799 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.26 118.34 23.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 74.439999999999998 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.09 116.24 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.530000000000001 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' GLN . . . . . 0.791 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.0 OUTLIER -147.45 139.13 24.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.030000000000001 110.982 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 25' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.2 p-90 -141.74 140.55 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 70.319999999999993 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 HG23 ' M' ' 105' ' ' THR . 2.3 tm? -127.45 127.3 43.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.953 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.569 ' N ' HD22 ' E' ' 26' ' ' LEU . 0.6 OUTLIER -120.05 131.35 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.844 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -163.98 154.25 15.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 73.340000000000003 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' THR . . . . . 0.525 HG22 ' HB3' ' K' ' 102' ' ' SER . 18.6 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.99 156.24 41.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 73.420000000000002 110.85 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -153.65 136.14 15.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 72.310000000000002 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 128.41 4.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 63.310000000000002 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 5' ' ' THR . . . . . 0.672 HG22 HD12 ' N' ' 126' ' ' LEU . 7.7 p -119.95 121.51 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 65.140000000000001 111.128 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.43 117.55 19.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.915 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 24.4 m -124.6 149.24 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 111.088 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.415 ' HA ' HG12 ' L' ' 123' ' ' VAL . 68.7 m -137.83 135.41 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.219999999999999 110.939 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.55 117.11 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.310000000000002 110.795 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -123.09 123.38 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.129999999999995 110.968 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.91 139.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 64.230000000000004 110.862 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -148.44 137.07 21.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 54.240000000000002 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -130.7 134.06 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 60.219999999999999 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.84 116.23 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 71.319999999999993 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.9 122.76 41.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.912 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.33 119.87 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 62.210000000000001 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.5 137.68 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 74.420000000000002 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -138.74 143.06 38.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -129.63 140.39 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 54.43 111.074 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.87 135.56 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.936 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.020000000000003 110.851 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -125.95 117.45 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.804 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.35 118.33 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 111.13 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.07 134.4 19.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 110.883 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' TRP . . . . . 0.456 ' CZ3' ' HE1' ' F' ' 27' ' ' MET . 1.6 p-90 -139.96 140.42 36.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.944 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.654 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.3 tm? -123.84 128.01 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.020000000000003 110.882 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 27' ' ' MET . . . . . 0.456 ' HE1' ' CZ3' ' F' ' 25' ' ' TRP . 0.9 OUTLIER -123.24 129.89 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.871 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -164.94 153.84 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.888 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' THR . . . . . 0.443 HG22 ' HB3' ' N' ' 102' ' ' SER . 19.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.510000000000005 111.146 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.337 . . . . 73.109999999999999 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 2' ' ' SER . . . . . 0.567 ' HB3' HG23 ' O' ' 129' ' ' THR . 34.3 p -174.57 160.09 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.909 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -159.0 138.35 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 128.24 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 64.209999999999994 112.53 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -121.69 119.28 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 41.32 111.128 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -128.45 121.77 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.329999999999998 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -134.23 143.14 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 111.052 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.625 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.2 t -133.7 135.21 43.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.896 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.91 115.67 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.510000000000005 110.857 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -121.02 121.46 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.981 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -129.76 143.2 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.400000000000006 110.801 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -157.04 137.51 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 71.430000000000007 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -135.35 140.03 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.935 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.58 123.14 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.299999999999997 110.94 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -125.8 124.57 41.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.924 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 126.55 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 65.109999999999999 110.833 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 17' ' ' ARG . . . . . 0.558 ' NH1' HD13 ' O' ' 114' ' ' LEU . 7.2 ptm180 -131.46 139.59 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 73.030000000000001 110.85 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.74 138.19 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.239999999999995 110.88 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.43 139.33 50.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 72.219999999999999 111.136 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.22 134.09 28.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.93 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.55 134.54 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 71.030000000000001 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.25 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 23' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' M' ' 106' ' ' PHE . 24.2 t -137.96 133.54 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.150000000000006 111.11 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.54 130.67 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 52.219999999999999 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 130.32 44.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 71.510000000000005 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.55 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.2 tm? -128.28 132.18 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 74.219999999999999 110.915 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.417 ' H ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -134.13 129.81 36.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 55.310000000000002 110.942 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.45 162.58 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 64.530000000000001 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 74.010000000000005 111.117 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 71.040000000000006 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -173.82 161.39 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.540000000000006 110.844 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -155.36 133.46 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.923 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 128.76 5.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 64.030000000000001 112.539 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 5' ' ' THR . . . . . 0.843 HG22 HD12 ' P' ' 126' ' ' LEU . 16.1 p -120.68 119.88 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 74.120000000000005 111.097 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -127.09 125.51 41.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -129.75 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 111.093 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -130.84 134.94 47.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.040000000000006 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.1 112.96 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.049999999999997 110.886 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -121.31 121.21 37.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 72.519999999999996 110.962 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -128.72 142.15 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 31.350000000000001 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -152.61 139.27 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.200000000000003 110.879 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -133.21 138.28 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.04 120.06 24.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 62.140000000000001 110.905 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -126.48 123.14 37.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 110.863 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 124.16 25.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 61.140000000000001 110.86 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 17' ' ' ARG . . . . . 0.592 ' NH1' HD13 ' N' ' 114' ' ' LEU . 6.8 ptm180 -131.59 136.49 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.150000000000006 110.847 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.24 137.98 44.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.827 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.99 140.07 51.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 71.230000000000004 111.05 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.57 133.96 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.97 132.53 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 73.400000000000006 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.79 137.67 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.48 129.99 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.030000000000001 111.097 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -141.21 129.0 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.944 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.21 128.76 38.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 71.519999999999996 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.491 HD13 ' C ' ' H' ' 26' ' ' LEU . 3.1 tm? -129.06 132.4 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 74.439999999999998 110.961 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 27' ' ' MET . . . . . 0.48 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -135.59 128.48 31.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.842 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -165.18 164.93 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.129999999999995 110.841 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 65.219999999999999 111.161 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 64.450000000000003 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.33 166.69 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.010000000000005 110.84 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.1 127.35 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 63.329999999999998 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 104' ' ' GLY . . . . . 0.748 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -135.31 138.99 10.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 53.32 112.448 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.704 HG23 HD13 ' A' ' 26' ' ' LEU . 1.1 m -128.97 119.19 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 73.319999999999993 111.142 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -116.57 126.33 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 110.855 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.4 122.87 34.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -130.76 128.12 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.825 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -142.56 136.01 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 51.210000000000001 110.858 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -133.59 130.89 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.983 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.46 134.68 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.874 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 128.79 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 63.409999999999997 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -134.84 125.14 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 42.100000000000001 110.917 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 137.86 54.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.409999999999997 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -140.01 117.18 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 110.887 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 27.3 m -120.78 133.67 55.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 64.329999999999998 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 117' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -135.68 124.45 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.892 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -129.35 125.39 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 63.039999999999999 110.879 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.15 123.69 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 65.439999999999998 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -130.37 128.24 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.120000000000005 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.91 133.31 41.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 63.219999999999999 110.809 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -146.03 143.96 29.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 64.120000000000005 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 8' ' ' SER . 10.1 m -141.1 155.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 74.5 111.11 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.02 135.08 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.049999999999997 110.872 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -136.49 113.45 10.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 71.340000000000003 110.938 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' J' ' 126' ' ' LEU . 4.4 tt -121.73 130.78 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 73.099999999999994 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.5 129.16 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 70.439999999999998 110.871 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.05 139.84 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 65.219999999999999 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 64.439999999999998 111.063 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.795 0.331 . . . . 75.310000000000002 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.2 166.68 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.79 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.4 125.9 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 74.230000000000004 110.928 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 104' ' ' GLY . . . . . 0.476 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -135.2 137.68 9.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 74.239999999999995 112.488 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 105' ' ' THR . . . . . 0.698 HG23 ' HG ' ' D' ' 26' ' ' LEU . 1.2 m -129.05 119.3 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 64.310000000000002 111.122 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -117.75 126.1 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.25 110.867 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.38 121.48 32.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.112 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 108' ' ' SER . . . . . 0.429 ' OG ' HG13 ' B' ' 23' ' ' VAL . 1.6 m -133.3 124.76 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.941 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -144.15 139.78 29.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 71.409999999999997 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -131.05 130.04 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.2 135.04 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.409999999999997 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -135.89 128.09 29.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 74.430000000000007 110.902 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -133.24 126.23 31.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 74.099999999999994 110.949 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.02 139.63 53.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 53.100000000000001 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -137.08 119.56 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 73.409999999999997 110.852 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 27.0 m -122.27 130.6 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 53.149999999999999 110.843 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.89 125.37 23.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -130.05 128.74 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.109999999999999 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.03 126.26 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.030000000000001 111.108 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -132.93 127.16 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 75.450000000000003 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.23 134.97 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.010000000000005 110.846 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -146.12 139.25 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.209999999999994 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' D' ' 8' ' ' SER . 13.9 m -141.65 154.54 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.230000000000004 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 124' ' ' GLN . . . . . 0.403 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.7 OUTLIER -133.12 138.58 46.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.200000000000003 110.947 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -130.76 115.87 17.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' I' ' 126' ' ' LEU . 4.1 tt -119.97 131.04 55.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.44 133.99 51.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.901 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.84 138.05 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 42.100000000000001 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.129 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 60.4 m170 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 74.540000000000006 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 102' ' ' SER . . . . . 0.525 ' HB3' HG22 ' E' ' 29' ' ' THR . 5.9 p -119.05 161.62 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.150000000000006 110.937 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.11 128.93 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.932 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.696 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -137.49 137.5 8.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 73.299999999999997 112.463 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.4 t -133.9 136.28 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 75.200000000000003 111.128 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -132.58 114.53 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.400000000000006 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.510000000000005 111.182 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 124.64 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 61.420000000000002 110.829 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.49 132.18 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 54.130000000000003 110.965 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -131.14 127.65 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 73.409999999999997 110.93 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -126.92 134.14 50.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 63.009999999999998 110.974 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 133.93 44.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.040000000000006 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -133.69 115.98 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.209999999999994 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.32 120.96 39.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.529 . . . . 74.420000000000002 110.904 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -129.23 113.25 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 63.530000000000001 110.888 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -129.45 131.4 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.150000000000006 110.855 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.498 HH22 ' HB2' ' K' ' 119' ' ' ALA . 7.3 ptm180 -140.26 143.36 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.109999999999999 110.833 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.53 140.53 44.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.905 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 119' ' ' ALA . . . . . 0.498 ' HB2' HH22 ' K' ' 117' ' ' ARG . . . -137.44 123.67 20.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 71.239999999999995 111.118 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -134.41 129.15 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 71.030000000000001 110.957 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.27 129.96 32.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.120000000000005 110.857 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -140.8 144.94 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.349999999999994 110.886 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.9 m -140.81 154.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 44.509999999999998 111.1 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -126.34 130.57 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.129999999999995 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -133.36 111.04 10.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.556 HD21 ' OD1' ' K' ' 128' ' ' ASN . 1.2 tt -121.06 129.99 53.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 62.43 110.993 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 127' ' ' MET . . . . . 0.486 ' HE3' ' HA3' ' C' ' 4' ' ' GLY . 0.0 OUTLIER -125.56 125.04 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 73.439999999999998 110.904 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' K' K ' 128' ' ' ASN . . . . . 0.556 ' OD1' HD21 ' K' ' 126' ' ' LEU . 2.9 m120 -128.15 134.41 49.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.040000000000006 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 129' ' ' THR . . . . . 0.592 HG23 ' CB ' ' C' ' 2' ' ' SER . 3.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 71.5 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.57 162.64 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 64.040000000000006 110.853 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 103' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.1 OUTLIER -103.29 126.49 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 63.439999999999998 110.94 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.603 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -136.96 135.66 7.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.653 -0.784 . . . . 72.549999999999997 112.416 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.654 ' HB ' HD23 ' F' ' 26' ' ' LEU . 2.8 t -132.46 129.07 38.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 75.319999999999993 111.137 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' F' ' 25' ' ' TRP . 4.3 t80 -127.77 111.66 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 75.530000000000001 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 107' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 24' ' ' GLN . 0.6 OUTLIER -112.23 125.97 54.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.319999999999993 111.108 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 124.41 23.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -135.12 133.67 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.150000000000006 110.857 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -129.3 127.78 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 73.430000000000007 110.914 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -127.61 135.41 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.329999999999998 110.862 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.82 134.53 46.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.513 . . . . 51.219999999999999 110.878 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -131.84 115.43 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.340000000000003 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -118.79 122.7 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 72.450000000000003 110.901 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.33 114.11 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.409999999999997 110.861 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 84.4 p -129.64 130.43 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.86 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.45 HH22 ' HB2' ' L' ' 119' ' ' ALA . 7.6 ptm180 -137.89 143.86 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.824 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.31 140.35 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.229999999999997 110.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 119' ' ' ALA . . . . . 0.45 ' HB2' HH22 ' L' ' 117' ' ' ARG . . . -137.83 124.24 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 111.073 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -135.04 127.54 30.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.08 131.85 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.53 144.67 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.319999999999993 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' F' ' 8' ' ' SER . 14.2 m -140.74 150.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.140000000000001 111.155 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -130.42 133.11 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.919 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -129.56 111.97 13.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.537 HD13 HD13 ' K' ' 126' ' ' LEU . 1.2 tt -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 71.450000000000003 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 128.67 47.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.857 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 128' ' ' ASN . . . . . 0.422 ' OD1' HD21 ' L' ' 126' ' ' LEU . 3.0 m120 -125.83 132.77 52.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 54.109999999999999 111.128 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' M' M ' 101' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' E' ' 29' ' ' THR . 5.4 m-70 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.803 0.335 . . . . 72.109999999999999 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 148.98 26.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.876 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.79 130.3 53.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 73.409999999999997 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.496 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 75.200000000000003 112.48 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.645 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -125.84 132.34 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 71.239999999999995 111.089 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 106' ' ' PHE . . . . . 0.662 ' CZ ' HG13 ' G' ' 23' ' ' VAL . 35.7 t80 -129.03 127.0 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.918 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 107' ' ' THR . . . . . 0.791 HG22 ' HG3' ' E' ' 24' ' ' GLN . 11.3 p -133.35 116.2 15.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 111.148 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 28.0 t -133.16 134.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.91 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -131.61 143.37 50.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.793 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -131.24 140.98 49.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.928 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -146.63 134.23 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 110.852 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 133.24 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 72.400000000000006 110.866 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -125.24 115.09 19.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 110.853 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -120.23 121.57 39.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 75.109999999999999 110.898 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -132.61 111.12 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.129999999999995 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 75.0 m -127.17 126.6 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.905 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.87 138.55 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.822 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -126.92 140.19 52.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.219999999999999 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.78 123.18 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 70.510000000000005 111.074 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.86 126.23 24.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.967 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.68 128.25 28.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 72.129999999999995 110.934 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.7 142.98 38.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 73.349999999999994 110.899 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.636 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.5 m -140.58 154.7 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 72.530000000000001 111.104 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.05 134.84 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.299999999999997 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -138.92 112.36 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.456 HD21 ' OD1' ' M' ' 128' ' ' ASN . 0.4 OUTLIER -126.71 134.54 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.099999999999994 110.887 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.71 124.18 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.120000000000005 110.881 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 128' ' ' ASN . . . . . 0.456 ' OD1' HD21 ' M' ' 126' ' ' LEU . 7.1 m120 -126.0 140.74 52.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 62.130000000000003 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.168 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.719 0.295 . . . . 74.239999999999995 110.814 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 102' ' ' SER . . . . . 0.443 ' HB3' HG22 ' F' ' 29' ' ' THR . 5.0 p -84.29 148.99 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.520000000000003 110.874 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.81 126.54 52.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 70.219999999999999 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.01 135.53 7.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.764 . . . . 54.030000000000001 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.9 132.74 43.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 73.019999999999996 111.131 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -126.86 129.49 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 15.7 p -129.4 117.47 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.191 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -134.07 125.22 27.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 63.25 110.889 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -134.25 144.47 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -133.59 139.64 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 50.539999999999999 110.913 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -143.61 134.81 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.349999999999994 110.851 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -132.88 133.56 43.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 63.329999999999998 110.935 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -126.15 115.2 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 74.230000000000004 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.592 HD13 ' NH1' ' H' ' 17' ' ' ARG . 0.0 OUTLIER -120.01 121.09 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.969 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -134.66 109.73 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 72.549999999999997 110.911 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 75.6 m -125.92 129.88 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 74.329999999999998 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.89 137.09 42.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 64.209999999999994 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 139.74 53.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 70.409999999999997 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.6 124.32 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 51.119999999999997 111.171 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.43 126.9 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 73.329999999999998 110.901 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -137.51 127.58 25.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -136.82 142.25 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 70.099999999999994 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 m -141.07 150.2 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 75.120000000000005 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -131.8 136.09 47.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 64.349999999999994 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -136.62 115.12 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 62.020000000000003 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.672 HD12 HG22 ' F' ' 5' ' ' THR . 0.5 OUTLIER -124.79 134.71 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 62.420000000000002 110.873 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.8 125.71 36.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 71.519999999999996 110.881 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 128' ' ' ASN . . . . . 0.514 ' ND2' HD21 ' N' ' 126' ' ' LEU . 27.3 m-20 -121.78 139.73 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 63.420000000000002 110.879 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 111.086 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.400000000000006 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -75.07 174.84 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 75.420000000000002 110.88 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.19 134.92 54.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 62.350000000000001 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.55 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -146.6 138.54 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.659 -0.781 . . . . 62.299999999999997 112.436 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.493 HG23 HD23 ' G' ' 26' ' ' LEU . 1.0 OUTLIER -133.83 132.02 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 74.430000000000007 111.166 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -128.75 133.62 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 62.409999999999997 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.46 131.17 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.92 136.76 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.889 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -134.94 136.77 42.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 110.849 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.52 128.9 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.439999999999998 110.914 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -135.35 135.34 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 65.310000000000002 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 112' ' ' LYS . . . . . 0.627 ' CE ' HD12 ' O' ' 114' ' ' LEU . 16.1 tptt -136.36 133.52 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.400000000000006 110.886 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -131.03 119.66 22.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.931 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.627 HD12 ' CE ' ' O' ' 112' ' ' LYS . 0.0 OUTLIER -123.46 117.33 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 43.509999999999998 110.912 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 111.38 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -130.03 129.57 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.140000000000001 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' O' ' 119' ' ' ALA . 7.4 ptm180 -137.77 141.62 40.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.430000000000007 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.72 140.78 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.120000000000005 110.823 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 119' ' ' ALA . . . . . 0.544 ' HB2' HH21 ' O' ' 117' ' ' ARG . . . -135.56 123.67 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.349999999999994 111.156 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -137.02 124.39 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.510000000000005 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -134.93 127.29 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -138.38 143.7 39.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.310000000000002 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.5 m -142.05 151.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 111.164 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -130.03 137.42 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -139.58 116.61 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.450000000000003 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.602 HD21 ' OD1' ' O' ' 128' ' ' ASN . 2.6 tt -125.58 132.23 52.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 110.922 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 124.23 38.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.875 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 128' ' ' ASN . . . . . 0.602 ' OD1' HD21 ' O' ' 126' ' ' LEU . 13.0 m120 -123.33 134.83 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 64.510000000000005 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 129' ' ' THR . . . . . 0.567 HG23 ' HB3' ' G' ' 2' ' ' SER . 8.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.319999999999993 111.165 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 73.349999999999994 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 52.5 p -76.66 177.44 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 64.099999999999994 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.88 134.95 54.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.873 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.8 140.06 8.41 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 44.140000000000001 112.518 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.25 136.28 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 64.219999999999999 111.145 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -129.16 133.47 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 64.450000000000003 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.59 130.26 34.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.040000000000006 111.194 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.36 139.14 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 44.0 110.829 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -136.3 136.06 39.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 110.874 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 127.76 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -137.59 134.76 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 54.109999999999999 110.86 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' P' ' 114' ' ' LEU . 16.1 tptt -139.14 132.7 30.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 110.905 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -130.81 120.02 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.540000000000006 110.941 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' P' ' 112' ' ' LYS . 0.0 OUTLIER -122.36 118.25 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.844 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.64 109.98 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 65.340000000000003 110.811 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -129.09 131.28 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.010000000000005 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -138.99 140.59 38.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 71.209999999999994 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 141.8 51.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.82 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.33 123.53 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 62.420000000000002 111.096 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -136.79 126.15 24.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.921 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -137.98 125.56 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 53.310000000000002 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -137.54 143.89 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 53.210000000000001 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.96 150.21 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 54.549999999999997 111.084 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -131.63 136.47 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 71.209999999999994 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -139.44 117.69 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.939 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.843 HD12 HG22 ' H' ' 5' ' ' THR . 2.6 tt -126.1 132.69 51.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 63.439999999999998 110.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.69 125.47 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.109999999999999 110.948 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 128' ' ' ASN . . . . . 0.71 ' ND2' HD21 ' P' ' 126' ' ' LEU . 71.5 m-20 -121.91 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 70.319999999999993 110.953 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 71.540000000000006 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.76 0.314 . . . . 65.120000000000005 111.147 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -126.07 111.65 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.019999999999996 110.836 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.09 141.15 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.141 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.628 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.9 t -140.29 134.88 31.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 54.539999999999999 110.859 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.76 118.82 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.87 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.72 127.04 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.934 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -136.65 136.79 39.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 65.329999999999998 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 138.97 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.955 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -133.1 143.75 49.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 75.099999999999994 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' HG3' ' I' ' 117' ' ' ARG . 2.5 tt -138.78 137.54 36.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.903 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.21 122.87 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.530000000000001 110.895 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.11 128.46 50.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.903 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -128.43 130.75 48.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.349999999999994 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -132.27 121.79 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 65.109999999999999 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.07 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 35.140000000000001 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -144.11 123.74 13.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 74.319999999999993 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -118.59 128.59 54.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.340000000000003 110.94 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.51 122.76 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 110.823 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.4 117.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.766 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.4 OUTLIER -134.39 143.64 47.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.915 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -156.74 143.03 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 74.510000000000005 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB3' HG23 ' I' ' 105' ' ' THR . 0.5 OUTLIER -134.57 147.96 50.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 63.020000000000003 110.933 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.54 133.69 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 71.209999999999994 110.878 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -136.78 173.28 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.187 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 62.350000000000001 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.18 156.71 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 64.230000000000004 110.808 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -155.11 143.03 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 130.51 4.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 64.319999999999993 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -122.09 126.21 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 54.210000000000001 111.154 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.5 112.24 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 139.93 49.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.420000000000002 111.127 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -136.65 134.74 37.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 72.099999999999994 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.7 119.78 13.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 64.319999999999993 110.906 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -128.57 128.37 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.923 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -133.56 138.89 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 74.519999999999996 110.835 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -139.8 138.0 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 74.129999999999995 110.876 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -131.12 142.59 50.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 71.540000000000006 110.98 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -142.01 135.24 29.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.439999999999998 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -142.32 123.04 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.349999999999994 110.896 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 128.58 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 51.109999999999999 110.802 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -125.98 127.46 45.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -135.33 121.22 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 73.25 110.87 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.644 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -122.11 143.19 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 72.150000000000006 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -143.09 124.07 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.903 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.53 131.67 56.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 110.84 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -123.7 120.89 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.37 117.58 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 55.240000000000002 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.49 148.81 49.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.876 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -152.63 134.51 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.973 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.63 148.79 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 75.510000000000005 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.5 133.53 48.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 110.882 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -136.59 172.38 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 70.239999999999995 110.931 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 61.100000000000001 111.119 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 72.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.29 155.35 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 51.539999999999999 110.9 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.32 145.04 21.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 63.009999999999998 110.962 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' GLY . . . . . 0.436 ' HA3' ' HE2' ' K' ' 127' ' ' MET . . . -137.17 128.31 4.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 55.020000000000003 112.501 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -121.84 125.82 47.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 71.150000000000006 111.16 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.02 111.49 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.109999999999999 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 139.84 50.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 70.319999999999993 111.155 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' K' ' 123' ' ' VAL . 6.3 m -140.03 134.87 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.239999999999995 110.835 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 120.51 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 72.120000000000005 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -130.38 123.51 30.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.911 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.05 136.69 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 64.409999999999997 110.849 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LYS . . . . . 0.433 ' HD3' HD11 ' C' ' 14' ' ' LEU . 0.0 OUTLIER -138.95 138.41 37.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.912 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -132.49 138.0 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 42.210000000000001 110.968 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.1 OUTLIER -132.53 130.55 40.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.040000000000006 110.966 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.27 123.01 24.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 110.824 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.94 119.89 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.893 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.77 132.86 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 74.530000000000001 110.881 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -132.33 132.01 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HE2' ' I' ' 112' ' ' LYS . . . -130.96 140.32 50.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.319999999999993 111.111 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -146.24 123.29 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -124.42 139.25 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.319999999999993 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.82 131.44 49.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.947 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.44 117.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 61.25 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.19 135.53 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.914 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.401 ' NE1' ' HB3' ' K' ' 106' ' ' PHE . 6.1 p-90 -139.86 148.91 42.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' K' ' 105' ' ' THR . 0.1 OUTLIER -126.91 148.73 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.549999999999997 110.832 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.24 130.66 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.310000000000002 110.829 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.55 153.95 17.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 65.109999999999999 111.194 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.822 0.344 . . . . 75.439999999999998 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.25 154.84 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.916 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -154.0 141.45 19.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 72.349999999999994 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 130.43 4.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 45.229999999999997 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -121.51 123.49 42.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 72.450000000000003 111.115 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -123.99 112.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.62 138.41 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.32 111.165 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' J' ' 123' ' ' VAL . 6.0 m -135.84 134.96 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.39 119.86 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 75.340000000000003 110.802 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -130.88 123.23 28.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 70.400000000000006 110.917 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.17 138.85 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 64.400000000000006 110.889 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 12' ' ' LYS . . . . . 0.695 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -136.12 138.26 41.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.969 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 13' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 11.0 t80 -132.28 136.11 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 74.310000000000002 110.961 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.695 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.3 OUTLIER -134.62 130.08 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 73.319999999999993 110.922 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.85 124.31 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.120000000000005 110.867 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.94 119.29 27.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.889 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.543 ' NE ' HD11 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -122.85 131.4 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.209999999999994 110.877 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -135.1 131.99 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.409999999999997 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.32 139.02 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.430000000000007 111.062 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.68 123.37 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 51.439999999999998 110.896 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -121.42 141.41 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -126.71 132.3 51.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.66 121.03 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 64.239999999999995 111.179 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 135.44 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.400000000000006 110.854 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -140.75 140.5 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 70.319999999999993 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' J' ' 105' ' ' THR . 0.1 OUTLIER -128.37 141.98 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 74.239999999999995 110.918 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.69 126.99 26.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.851 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -166.16 152.89 9.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.019999999999996 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 111.168 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 64.510000000000005 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 2' ' ' SER . . . . . 0.414 ' HB3' HG23 ' M' ' 129' ' ' THR . 0.0 OUTLIER -156.04 158.8 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 45.200000000000003 110.845 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 71.140000000000001 110.866 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.89 3.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 60.049999999999997 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.15 132.53 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 63.450000000000003 111.171 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.32 111.76 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.239999999999995 110.915 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 136.19 53.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.030000000000001 111.169 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.659 ' HA ' HG12 ' M' ' 123' ' ' VAL . 2.9 t -136.97 134.31 36.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 72.420000000000002 110.859 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.12 132.5 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.349999999999994 110.84 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -141.39 127.32 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 63.340000000000003 110.901 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.6 134.94 47.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 75.299999999999997 110.818 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 12' ' ' LYS . . . . . 0.476 ' CE ' HD11 ' E' ' 14' ' ' LEU . 11.4 ptmt -137.58 126.78 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 74.530000000000001 110.875 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.78 124.13 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.049999999999997 110.949 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.754 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.2 OUTLIER -113.54 112.51 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.909 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -114.05 121.04 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 64.230000000000004 110.9 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 53.6 p -133.75 138.78 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.85 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.4 HH11 HD13 ' M' ' 114' ' ' LEU . 7.4 ptm180 -142.52 139.83 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.869 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.26 132.92 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.879 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.93 139.54 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.439999999999998 111.146 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -146.9 123.52 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 110.976 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.31 135.95 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 54.350000000000001 110.832 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.55 132.5 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.912 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.79 117.76 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -151.94 137.45 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 25' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 4.4 p-90 -139.03 143.5 38.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.319999999999993 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -120.99 134.45 55.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.573 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.1 ptp -126.79 131.66 51.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.861 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.09 177.12 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.340000000000003 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.129999999999995 111.116 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 73.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.19 157.24 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 110.8 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -151.89 145.38 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 72.310000000000002 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.82 129.38 3.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 63.310000000000002 112.503 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.11 129.95 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 65.140000000000001 111.123 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.74 113.44 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.129999999999995 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 136.42 53.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 111.171 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.55 ' HA ' HG12 ' L' ' 123' ' ' VAL . 2.9 t -132.76 134.66 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 62.219999999999999 110.843 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.19 131.5 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 64.310000000000002 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -141.46 127.0 18.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.915 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.74 132.9 44.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.230000000000004 110.832 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.598 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 11.3 ptmt -139.81 128.95 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 54.240000000000002 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -129.29 123.07 30.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 60.219999999999999 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.646 HD23 ' HD2' ' L' ' 117' ' ' ARG . 0.4 OUTLIER -112.02 112.84 24.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 110.929 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.36 122.29 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.924 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 53.9 p -133.19 139.64 47.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 62.210000000000001 110.822 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -143.3 138.38 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.829 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -136.37 135.11 38.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 72.230000000000004 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' ALA . . . . . 0.791 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.69 139.74 52.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 54.43 111.113 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.17 124.15 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.439999999999998 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -126.9 137.91 53.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 50.020000000000003 110.814 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.58 135.88 54.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.844 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.23 121.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 74.150000000000006 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -151.84 136.8 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.230000000000004 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -143.97 142.43 30.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.626 HD22 ' O ' ' L' ' 104' ' ' GLY . 3.4 tm? -120.76 133.49 55.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 50.020000000000003 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 27' ' ' MET . . . . . 0.471 ' N ' HD13 ' F' ' 26' ' ' LEU . 2.6 ptp -127.8 129.9 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 74.439999999999998 110.883 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.48 177.2 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.150000000000006 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' THR . . . . . 0.683 HG23 ' HA ' ' N' ' 102' ' ' SER . 3.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 111.178 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 73.109999999999999 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.67 153.62 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.884 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 3' ' ' GLN . . . . . 0.524 HE22 HD21 ' N' ' 126' ' ' LEU . 43.9 tt0 -151.61 144.34 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.946 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.05 128.35 4.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 64.209999999999994 112.505 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -121.62 131.97 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.3 . . . . 41.32 111.147 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -131.3 111.7 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.329999999999998 110.826 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 134.45 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.319999999999993 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.576 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.7 OUTLIER -130.83 135.22 47.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.849 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.64 130.42 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 73.510000000000005 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -140.51 134.15 30.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.854 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -124.12 138.83 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 72.400000000000006 110.83 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -134.75 124.06 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 71.430000000000007 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.93 131.69 53.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 110.915 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -129.84 112.4 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.299999999999997 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -123.14 122.45 38.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.12 129.63 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.109999999999999 110.912 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 17' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' P' ' 114' ' ' LEU . 6.9 ptm180 -134.18 138.9 45.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 73.030000000000001 110.898 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -133.92 135.46 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.63 139.17 54.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.219999999999999 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -148.6 124.17 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 73.099999999999994 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.56 128.09 34.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 71.030000000000001 110.891 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.18 133.24 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.340000000000003 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.47 138.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.150000000000006 111.102 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.8 151.95 34.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 52.219999999999999 110.947 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -152.98 131.41 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 71.510000000000005 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' O' ' 105' ' ' THR . 3.3 tm? -121.22 133.47 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.219999999999999 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.428 ' N ' HD13 ' G' ' 26' ' ' LEU . 3.7 ptp -125.94 133.64 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 55.310000000000002 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -160.59 174.83 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 64.530000000000001 110.866 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.010000000000005 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 71.040000000000006 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.12 152.38 34.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.872 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -149.93 141.6 23.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 74.109999999999999 110.974 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 131.17 4.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 64.030000000000001 112.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -119.09 129.9 55.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 74.120000000000005 111.108 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.77 112.26 12.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 132.37 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 111.199 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.457 ' HA ' HG12 ' N' ' 123' ' ' VAL . 0.7 OUTLIER -128.24 134.59 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.040000000000006 110.838 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.66 126.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.049999999999997 110.816 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -139.63 131.77 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.519999999999996 110.919 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -126.82 136.93 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 31.350000000000001 110.834 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 12' ' ' LYS . . . . . 0.507 ' HE3' HD11 ' H' ' 14' ' ' LEU . 20.5 ttpt -136.32 126.3 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 72.200000000000003 110.869 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -121.87 133.19 54.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 71.430000000000007 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.507 HD11 ' HE3' ' H' ' 12' ' ' LYS . 3.3 mp -125.68 112.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.140000000000001 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -120.99 122.58 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.842 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.07 128.65 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 61.140000000000001 110.84 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -133.86 135.41 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.150000000000006 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -134.79 134.59 41.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 63.009999999999998 110.881 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.29 138.63 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.230000000000004 111.106 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -146.31 125.58 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 62.420000000000002 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -133.68 129.15 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.400000000000006 110.832 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.08 135.34 54.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.817 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -136.33 136.21 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.030000000000001 111.114 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.46 151.33 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 74.519999999999996 110.93 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 25' ' ' TRP . . . . . 0.48 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 5.8 t90 -160.71 130.06 4.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 71.519999999999996 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.625 HD22 ' O ' ' N' ' 104' ' ' GLY . 3.3 tm? -121.99 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 110.925 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 27' ' ' MET . . . . . 0.48 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 3.2 ptp -125.43 131.69 52.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.938 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -162.25 176.55 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.91 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.219999999999999 111.141 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.831 0.348 . . . . 64.450000000000003 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -179.93 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.010000000000005 110.827 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.21 127.1 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 63.329999999999998 110.893 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.77 139.08 13.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 53.32 112.498 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 26' ' ' LEU . 5.7 m -130.77 124.88 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 73.319999999999993 111.123 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -121.9 133.65 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.917 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 107' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 24' ' ' GLN . 14.2 m -138.87 120.09 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.113 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 27.4 t -130.53 132.83 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.23 140.62 35.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 51.210000000000001 110.826 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -131.59 127.63 37.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 75.540000000000006 110.966 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.92 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.903 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 112' ' ' LYS . . . . . 0.55 ' NZ ' HD12 ' I' ' 114' ' ' LEU . 0.4 OUTLIER -134.12 128.33 33.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.409999999999997 110.831 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -129.83 124.61 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 42.100000000000001 110.902 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.55 HD12 ' NZ ' ' I' ' 112' ' ' LYS . 0.0 OUTLIER -127.75 126.4 41.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 74.409999999999997 110.922 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.48 112.24 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 65.010000000000005 110.829 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 9.4 t -113.4 139.68 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 64.329999999999998 110.794 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 117' ' ' ARG . . . . . 0.56 ' HG3' HD12 ' A' ' 14' ' ' LEU . 6.0 ttp85 -150.36 139.26 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 74.120000000000005 110.826 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 135.4 29.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.039999999999999 110.836 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.45 123.68 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 111.035 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.5 123.82 28.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 64.120000000000005 110.9 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -132.68 126.05 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 63.219999999999999 110.866 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -142.16 144.9 33.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 110.905 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.7 m -142.77 160.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -139.52 139.04 36.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.898 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.55 122.5 24.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 71.340000000000003 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.452 ' C ' HD23 ' I' ' 126' ' ' LEU . 8.9 tt -116.2 125.7 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.406 . . . . 73.099999999999994 110.972 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 3.6 mmt -122.69 124.81 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.902 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.219999999999999 110.942 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.439999999999998 111.117 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 75.310000000000002 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 -179.82 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.895 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.39 127.08 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.891 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.23 138.59 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.478 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 105' ' ' THR . . . . . 0.434 ' HA ' ' HG ' ' D' ' 26' ' ' LEU . 5.8 m -126.37 122.97 36.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.338 . . . . 64.310000000000002 111.097 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -125.79 137.27 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 13.9 m -138.94 118.64 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.219999999999999 111.15 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 27.3 t -132.56 126.75 33.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -144.71 143.53 30.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 71.409999999999997 110.894 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.14 127.75 42.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.888 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.18 134.5 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.409999999999997 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.644 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 0.4 OUTLIER -133.98 128.46 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.899 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.76 125.57 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.099999999999994 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.603 HD12 ' HZ2' ' J' ' 112' ' ' LYS . 0.0 OUTLIER -129.51 125.47 36.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 53.100000000000001 110.913 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.0 112.19 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 110.862 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 9.3 t -116.21 138.5 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 53.149999999999999 110.86 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 117' ' ' ARG . . . . . 0.537 ' HD2' HD23 ' D' ' 14' ' ' LEU . 5.8 ttp85 -147.87 142.12 26.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 71.219999999999999 110.882 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 118' ' ' ARG . . . . . 0.401 ' HG2' ' HB3' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -144.51 136.7 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 119' ' ' ALA . . . . . 0.439 ' HB3' ' CG ' ' B' ' 12' ' ' LYS . . . -134.14 126.26 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.030000000000001 111.118 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.11 122.71 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.450000000000003 110.958 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -132.55 129.98 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 110.809 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -141.0 143.99 34.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' D' ' 8' ' ' SER . 15.6 m -142.46 158.17 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 64.230000000000004 111.197 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -142.81 139.95 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 71.200000000000003 110.932 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -129.89 123.47 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.449 HD23 ' C ' ' J' ' 126' ' ' LEU . 9.0 tt -118.17 124.73 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.81 127.48 50.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 72.319999999999993 110.821 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -126.4 126.91 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 42.100000000000001 110.895 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 73.140000000000001 111.154 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 74.540000000000006 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 147.55 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.59 127.45 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.209999999999994 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.52 142.66 13.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 73.299999999999997 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.448 ' HB ' HD21 ' C' ' 26' ' ' LEU . 7.0 t -137.29 126.77 25.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 75.200000000000003 111.166 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' NE1' ' C' ' 25' ' ' TRP . 27.8 t80 -125.57 119.78 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.400000000000006 110.832 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -129.94 124.41 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.510000000000005 111.151 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -142.18 147.49 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 61.420000000000002 110.911 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.19 148.7 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 54.130000000000003 110.839 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.79 128.58 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.903 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -125.17 134.48 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.009999999999998 110.897 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 138.47 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -140.74 124.32 16.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -127.72 129.41 47.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.937 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.08 109.96 11.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 63.530000000000001 110.832 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -115.3 121.35 42.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.150000000000006 110.819 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.679 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.3 OUTLIER -130.42 144.6 51.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.109999999999999 110.874 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.64 138.82 27.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.28 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 111.092 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -129.27 122.11 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 71.030000000000001 110.955 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -127.93 125.37 39.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.120000000000005 110.904 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -141.47 142.59 33.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 73.349999999999994 110.908 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' C' ' 8' ' ' SER . 8.7 m -142.84 157.05 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 44.509999999999998 111.177 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.44 139.31 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 65.129999999999995 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -131.09 121.34 24.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.95 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.469 HD23 ' C ' ' K' ' 126' ' ' LEU . 9.6 tt -115.05 124.09 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.926 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 127' ' ' MET . . . . . 0.436 ' HE2' ' HA3' ' C' ' 4' ' ' GLY . 3.9 mmt -121.49 124.87 45.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.843 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.63 129.07 46.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 72.040000000000006 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.019999999999996 111.189 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 71.5 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.28 148.94 30.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 64.040000000000006 110.815 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 103' ' ' GLN . . . . . 0.428 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.1 OUTLIER -106.91 125.52 51.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 63.439999999999998 110.84 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.626 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -130.4 136.57 8.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.549999999999997 112.48 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.587 ' HB ' HD23 ' F' ' 26' ' ' LEU . 9.8 t -135.0 127.8 31.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.326 . . . . 75.319999999999993 111.169 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -126.12 117.97 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.530000000000001 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -122.24 126.64 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 111.18 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 61.8 p -143.53 141.39 30.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 62.25 110.831 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.01 150.04 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.41 127.63 41.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.898 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -123.53 134.58 53.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 52.329999999999998 110.822 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.1 OUTLIER -139.8 140.02 36.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 51.219999999999999 110.947 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -138.9 125.2 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.916 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -126.69 130.0 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.450000000000003 110.932 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.97 110.1 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 63.409999999999997 110.89 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 122.17 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.439999999999998 110.852 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.646 ' HD2' HD23 ' F' ' 14' ' ' LEU . 0.2 OUTLIER -132.2 146.26 51.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 72.340000000000003 110.886 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 118' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -149.36 139.71 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 63.229999999999997 110.858 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.25 123.94 19.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -126.09 122.38 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.973 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -128.6 126.62 40.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 110.906 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -138.65 142.35 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 110.892 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' F' ' 8' ' ' SER . 11.9 m -142.46 154.96 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 111.085 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.24 139.76 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 75.420000000000002 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.94 121.75 28.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.47 HD23 ' C ' ' L' ' 126' ' ' LEU . 9.7 tt -116.09 123.41 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 71.450000000000003 110.965 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.81 126.43 50.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.439999999999998 110.857 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 128.21 45.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 54.109999999999999 111.075 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 72.109999999999999 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.65 145.37 26.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.808 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 127.46 53.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.86 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.57 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.16 138.66 9.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 75.200000000000003 112.48 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.717 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.7 t -125.81 134.12 51.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 71.239999999999995 111.199 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 106' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 18.3 t80 -124.68 121.96 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.400000000000006 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -128.62 129.08 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 71.439999999999998 111.205 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 68.6 p -147.17 146.83 30.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.209999999999994 110.835 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.37 149.53 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.73 127.78 39.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 72.129999999999995 110.927 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.66 134.75 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 65.409999999999997 110.82 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 141.47 36.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.400000000000006 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -138.74 133.46 32.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.966 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.4 HD13 HH11 ' E' ' 17' ' ' ARG . 0.0 OUTLIER -133.43 129.75 37.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 110.943 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.31 117.55 14.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -131.86 127.64 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.430000000000007 110.881 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 117' ' ' ARG . . . . . 0.754 ' HD2' HD23 ' E' ' 14' ' ' LEU . 8.5 mtp180 -124.97 130.39 52.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.400000000000006 110.851 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 119.34 33.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 63.219999999999999 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.56 123.42 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 111.099 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -132.31 122.27 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.862 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -129.72 128.52 42.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 110.848 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.08 143.59 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.349999999999994 110.897 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' E' ' 8' ' ' SER . 8.3 m -141.49 154.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 111.085 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.24 140.43 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -128.75 130.23 46.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.96 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.413 HD23 ' C ' ' M' ' 126' ' ' LEU . 7.5 tt -122.89 125.27 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.099999999999994 110.881 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.32 125.01 44.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 70.120000000000005 110.906 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -128.3 132.31 48.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.130000000000003 110.853 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 129' ' ' THR . . . . . 0.414 HG23 ' HB3' ' E' ' 2' ' ' SER . 6.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.34 . . . . 74.239999999999995 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 102' ' ' SER . . . . . 0.683 ' HA ' HG23 ' F' ' 29' ' ' THR . 2.0 m -87.82 144.96 26.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 62.520000000000003 110.801 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.88 125.0 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.625 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -143.68 135.01 6.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.828 -0.701 . . . . 54.030000000000001 112.516 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 105' ' ' THR . . . . . 0.598 ' HB ' HD23 ' H' ' 26' ' ' LEU . 11.1 t -130.44 132.78 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 73.019999999999996 111.181 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -125.29 120.61 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -126.16 129.18 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 111.11 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 69.5 p -147.88 146.48 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 63.25 110.804 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -146.12 150.31 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.319999999999993 110.886 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.71 127.05 41.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 50.539999999999999 110.977 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.72 134.59 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 74.349999999999994 110.827 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.791 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -140.91 141.98 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.329999999999998 110.914 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.71 133.2 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.230000000000004 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 129.22 37.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 73.319999999999993 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -137.29 118.04 14.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.549999999999997 110.874 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -131.12 126.09 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 74.329999999999998 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -124.63 129.13 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 64.209999999999994 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 120.68 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 70.409999999999997 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 119' ' ' ALA . . . . . 0.598 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -124.03 123.75 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 51.119999999999997 111.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -130.04 122.34 28.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -131.26 129.5 41.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.897 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.46 141.11 29.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 70.099999999999994 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 123' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' H' ' 8' ' ' SER . 13.6 m -141.74 153.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.120000000000005 111.083 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 138.52 42.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 64.349999999999994 110.878 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -128.49 127.76 43.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 62.020000000000003 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.524 HD21 HE22 ' G' ' 3' ' ' GLN . 7.5 tt -124.64 124.13 41.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 62.420000000000002 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.7 129.09 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.519999999999996 110.84 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.73 130.76 50.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.420000000000002 110.869 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.120000000000005 111.181 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 65.400000000000006 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 50.0 m -78.04 177.88 7.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 110.813 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.44 129.03 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.350000000000001 110.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.583 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -142.31 139.36 9.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 62.299999999999997 112.474 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.647 ' HB ' HD23 ' G' ' 26' ' ' LEU . 5.3 t -125.14 124.29 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 74.430000000000007 111.157 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -119.15 132.15 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.409999999999997 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.46 138.54 38.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.47 142.76 23.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 110.822 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.99 133.52 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.209999999999994 110.835 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 129.82 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.962 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.16 135.81 43.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 65.310000000000002 110.882 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 112' ' ' LYS . . . . . 0.523 ' CE ' HD12 ' O' ' 114' ' ' LEU . 1.4 tttp -140.32 143.06 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.400000000000006 110.872 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -135.29 127.05 29.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.329999999999998 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -128.28 126.5 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 43.509999999999998 110.901 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.18 129.55 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -139.51 134.12 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.842 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 140.23 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.430000000000007 110.84 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -127.49 119.68 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 110.888 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -119.4 123.53 44.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 74.349999999999994 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.35 131.83 46.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.510000000000005 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.03 118.18 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -144.58 139.36 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 71.310000000000002 110.831 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' G' ' 8' ' ' SER . 3.9 m -144.69 151.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 75.420000000000002 111.174 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -127.25 139.39 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 72.319999999999993 110.873 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -133.53 128.11 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 71.450000000000003 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.452 HD23 ' C ' ' O' ' 126' ' ' LEU . 8.3 tt -122.53 128.4 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.892 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.82 124.98 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.9 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.12 128.29 44.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 64.510000000000005 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 111.15 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 36.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 73.349999999999994 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -76.02 177.43 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 110.852 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -126.04 127.22 45.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.914 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.73 138.63 8.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 44.140000000000001 112.577 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 105' ' ' THR . . . . . 0.414 HG23 ' O ' ' P' ' 105' ' ' THR . 9.5 t -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.219999999999999 111.11 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.02 133.35 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.450000000000003 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.8 138.56 37.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 111.072 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 142.2 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 44.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -142.92 132.49 23.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 71.540000000000006 110.881 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -118.01 129.44 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.88 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.83 134.85 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 54.109999999999999 110.801 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 112' ' ' LYS . . . . . 0.488 ' CE ' HD12 ' P' ' 114' ' ' LEU . 1.5 tttp -139.6 142.7 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 73.409999999999997 110.905 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -135.49 126.77 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.540000000000006 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -127.14 127.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.439999999999998 110.99 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.99 128.15 35.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 65.340000000000003 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -136.81 135.2 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.010000000000005 110.868 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.77 137.71 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.209999999999994 110.89 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -126.62 120.32 29.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 63.210000000000001 110.85 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.18 123.19 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.420000000000002 111.119 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.17 132.74 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.961 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -137.81 116.88 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 53.310000000000002 110.848 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -141.16 140.11 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 53.210000000000001 110.917 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 8.0 m -145.21 149.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 54.549999999999997 111.156 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -128.21 138.18 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.209999999999994 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -132.21 128.7 38.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.530000000000001 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.458 HD23 ' C ' ' P' ' 126' ' ' LEU . 8.6 tt -122.59 128.37 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.439999999999998 110.953 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.41 127.43 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.85 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.07 128.21 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.319999999999993 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 111.153 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' B' ' 5' ' ' THR . 1.3 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.781 0.324 . . . . 65.120000000000005 111.141 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.91 125.41 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.019999999999996 110.922 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.443 HG22 ' OE1' ' I' ' 124' ' ' GLN . 12.4 t -137.47 147.91 45.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 111.125 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' I' ' 123' ' ' VAL . 27.6 t -134.58 135.29 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 54.539999999999999 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.18 126.83 30.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 74.040000000000006 110.944 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -136.46 136.24 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 75.409999999999997 110.927 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 138.12 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 65.329999999999998 110.836 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.58 136.83 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.400000000000006 110.858 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -137.74 137.58 38.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' I' ' 117' ' ' ARG . 0.8 OUTLIER -129.85 129.67 44.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.913 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -133.07 123.08 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.789 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -134.63 120.31 19.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HD3' HD11 ' J' ' 114' ' ' LEU . 0.4 OUTLIER -128.44 130.73 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.349999999999994 110.94 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.109999999999999 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.17 139.14 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 35.140000000000001 111.134 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.7 125.46 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.889 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.42 132.42 39.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.1 143.09 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.66 137.91 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 111.152 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' HG22 ' I' ' 107' ' ' THR . 7.6 tm0? -139.67 144.68 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.956 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -137.26 131.68 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.510000000000005 110.943 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.821 HD13 HG23 ' I' ' 105' ' ' THR . 38.4 tp -125.08 136.5 53.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 63.020000000000003 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -134.36 134.87 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 71.209999999999994 110.888 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -152.2 176.89 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 74.239999999999995 111.069 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.753 0.311 . . . . 62.350000000000001 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -157.31 160.35 38.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.230000000000004 110.846 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.76 130.12 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.140000000000001 110.914 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 128.67 6.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 64.319999999999993 112.518 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 5' ' ' THR . 1.5 p -126.38 115.85 20.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 54.210000000000001 111.102 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' J' ' 125' ' ' TRP . 0.1 OUTLIER -136.52 132.53 35.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -132.56 151.72 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 60.420000000000002 111.125 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -131.81 135.88 47.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 72.099999999999994 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.08 126.78 30.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 64.319999999999993 110.899 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -135.39 137.25 42.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.430000000000007 110.948 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 140.2 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.848 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -140.07 140.08 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 74.129999999999995 110.934 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.540000000000006 110.851 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.23 128.56 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 73.439999999999998 110.927 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -134.06 123.02 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 110.922 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -134.13 119.91 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 51.109999999999999 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.31 125.76 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 110.904 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.876 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.67 139.08 50.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.150000000000006 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -134.87 123.83 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.229999999999997 110.966 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.75 133.41 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.802 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' J' ' 109' ' ' ASP . 0.1 OUTLIER -134.76 141.46 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.510000000000005 110.851 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 140.68 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 55.240000000000002 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.9 145.64 40.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 71.329999999999998 110.923 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -137.03 130.96 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.120000000000005 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -125.39 136.64 53.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -136.92 132.57 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.862 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -152.71 177.05 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 70.239999999999995 110.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.100000000000001 111.183 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.786 0.327 . . . . 72.209999999999994 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 159.33 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 51.539999999999999 110.859 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -157.48 130.77 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 63.009999999999998 110.935 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 137.99 10.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 55.020000000000003 112.478 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.93 113.89 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 71.150000000000006 111.22 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -126.56 123.55 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -136.6 146.49 46.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.319999999999993 111.071 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.53 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.0 t -136.22 135.18 38.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 64.239999999999995 110.814 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -133.92 124.74 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 110.842 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -126.66 130.18 49.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 110.942 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.21 135.45 48.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.409999999999997 110.9 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -146.15 123.96 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.140000000000001 110.909 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.54 126.75 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 42.210000000000001 110.888 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.828 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -115.4 113.76 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 64.040000000000006 110.928 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -117.91 121.72 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.299999999999997 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -133.33 141.26 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.912 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.557 ' NH1' HD13 ' K' ' 114' ' ' LEU . 8.1 ptm180 -142.63 136.9 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.882 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 138.8 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' K' ' 112' ' ' LYS . . . -130.64 141.89 50.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.319999999999993 111.15 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.89 123.65 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.909 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.77 138.15 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 110.896 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.66 128.79 39.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.884 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -141.07 119.61 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 61.25 111.096 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLN . . . . . 0.727 ' HG3' HG22 ' K' ' 107' ' ' THR . 0.4 OUTLIER -152.59 137.28 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.919 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 25' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 1.5 p-90 -140.42 144.09 35.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 74.239999999999995 110.987 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' K' ' 105' ' ' THR . 3.0 tm? -122.87 132.02 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.549999999999997 110.922 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' MET . . . . . 0.471 ' H ' HD22 ' C' ' 26' ' ' LEU . 0.9 OUTLIER -126.03 133.01 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 73.310000000000002 110.873 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -164.4 135.99 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.109999999999999 111.081 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 75.439999999999998 110.798 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.4 159.0 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.826 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -156.04 129.75 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.13 137.09 9.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 45.229999999999997 112.389 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -133.37 113.96 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 72.450000000000003 111.117 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -127.43 128.21 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -130.31 143.52 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 61.32 111.095 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.535 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.0 t -134.06 134.86 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.450000000000003 110.827 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -139.77 121.56 15.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.82 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -125.96 127.15 45.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 70.400000000000006 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 134.24 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 64.400000000000006 110.895 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -145.9 127.06 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.239999999999995 110.84 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.95 122.55 30.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.907 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.18 114.47 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 73.319999999999993 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -116.34 122.39 44.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.807 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 92.3 p -131.46 141.19 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.878 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.785 ' HD3' HD11 ' I' ' 114' ' ' LEU . 7.7 ptm180 -142.6 135.44 28.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 72.209999999999994 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 138.35 51.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.875 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -131.0 139.89 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 111.159 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.28 125.21 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 51.439999999999998 110.916 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -120.66 138.91 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.901 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -129.16 127.32 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -143.37 123.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 64.239999999999995 111.133 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLN . . . . . 0.454 ' CG ' HG22 ' J' ' 107' ' ' THR . 0.5 OUTLIER -152.05 132.89 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.929 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 1.5 p-90 -139.26 141.0 37.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 70.319999999999993 110.868 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.587 HD22 ' O ' ' J' ' 104' ' ' GLY . 3.3 tm? -124.18 130.84 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.239999999999995 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -126.47 129.98 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.834 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -164.95 134.84 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 75.019999999999996 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 65.049999999999997 111.119 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.72 0.295 . . . . 64.510000000000005 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.14 154.79 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 45.200000000000003 110.883 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -154.41 130.22 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.55 128.38 6.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 60.049999999999997 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -121.04 127.58 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 63.450000000000003 111.167 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.26 112.09 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 110.926 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 142.61 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.119 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.613 ' HA ' HG12 ' M' ' 123' ' ' VAL . 6.8 t -138.17 135.34 35.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 110.876 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 121.41 18.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.847 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -133.33 125.91 30.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.951 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -136.79 125.53 23.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 75.299999999999997 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 12' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' E' ' 14' ' ' LEU . 8.3 ptmt -128.54 123.72 34.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.898 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 13' ' ' TYR . . . . . 0.817 ' C ' HD13 ' E' ' 14' ' ' LEU . 10.9 t80 -117.11 136.83 52.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 75.049999999999997 110.921 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.817 HD13 ' C ' ' E' ' 13' ' ' TYR . 0.0 OUTLIER -119.58 141.2 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 75.219999999999999 110.867 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.85 126.72 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.865 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 61.1 m -136.97 119.26 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.893 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 141.9 50.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.897 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.64 142.98 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 75.25 110.841 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.83 22.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.439999999999998 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.89 127.27 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.31 121.2 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 54.350000000000001 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.84 116.98 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -126.72 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 71.530000000000001 111.18 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.23 152.73 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' TRP . . . . . 0.461 ' CH2' ' HE1' ' E' ' 27' ' ' MET . 3.8 t90 -150.49 130.27 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.2 tm? -122.52 133.69 54.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.25 110.924 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.465 ' H ' HD22 ' E' ' 26' ' ' LEU . 4.4 ptp -127.49 134.06 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -163.53 132.88 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 110.872 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.179 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 73.140000000000001 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.85 153.6 34.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 73.420000000000002 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -153.02 129.43 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 72.310000000000002 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.35 129.65 5.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 63.310000000000002 112.45 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -124.52 124.63 42.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 65.140000000000001 111.088 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.68 115.8 14.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 73.129999999999995 110.83 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 143.94 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 111.147 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.446 ' HA ' HG12 ' L' ' 123' ' ' VAL . 6.6 t -135.64 136.33 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 62.219999999999999 110.821 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.79 15.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 64.310000000000002 110.896 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.7 128.61 39.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 110.91 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -133.54 126.69 31.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 64.230000000000004 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.729 ' HE2' HD21 ' F' ' 14' ' ' LEU . 8.3 ptmt -126.25 124.39 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 54.240000000000002 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 13' ' ' TYR . . . . . 0.776 ' C ' HD13 ' F' ' 14' ' ' LEU . 19.6 t80 -118.33 127.84 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 60.219999999999999 111.008 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.776 HD13 ' C ' ' F' ' 13' ' ' TYR . 0.0 OUTLIER -121.32 135.74 55.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 71.319999999999993 110.924 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.39 123.94 18.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.834 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 60.3 m -134.81 120.3 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 62.210000000000001 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' ARG . . . . . 0.605 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -127.8 140.45 52.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.861 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -142.12 142.35 32.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 110.851 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' ALA . . . . . 0.528 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -138.61 127.44 23.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.43 111.127 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.9 130.46 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.946 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -131.16 123.47 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 50.020000000000003 110.893 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.06 117.52 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.851 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.98 138.33 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.150000000000006 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -150.45 152.33 34.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 25' ' ' TRP . . . . . 0.438 ' CH2' ' HE1' ' F' ' 27' ' ' MET . 3.0 t90 -158.21 129.57 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.140000000000001 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.63 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.2 tm? -124.06 133.19 53.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 50.020000000000003 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 27' ' ' MET . . . . . 0.458 ' H ' HD22 ' F' ' 26' ' ' LEU . 4.0 ptp -124.99 133.09 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 110.852 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -164.64 132.31 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 110.855 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.510000000000005 111.13 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.95 160.8 37.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.932 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 3' ' ' GLN . . . . . 0.715 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -162.37 162.6 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.140000000000001 110.885 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 128.02 2.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.726 -0.749 . . . . 64.209999999999994 112.48 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 5' ' ' THR . . . . . 0.608 HG21 ' CD1' ' P' ' 126' ' ' LEU . 5.0 p -121.1 134.7 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 41.32 111.106 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -140.16 112.28 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.841 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.62 141.66 51.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 70.319999999999993 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.623 ' HA ' HG12 ' O' ' 123' ' ' VAL . 6.7 t -137.55 135.0 36.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.869 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -135.64 129.73 33.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 73.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -138.77 121.43 16.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.942 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.83 131.73 53.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.835 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.0 135.41 48.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 71.430000000000007 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 13' ' ' TYR . . . . . 0.594 ' C ' HD12 ' G' ' 14' ' ' LEU . 9.1 t80 -135.7 129.84 33.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 73.310000000000002 110.93 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.594 HD12 ' C ' ' G' ' 13' ' ' TYR . 10.9 mp -126.88 124.13 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 72.299999999999997 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.73 123.62 40.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.854 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -137.98 123.96 20.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 65.109999999999999 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 145.66 47.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 110.835 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.7 146.08 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.835 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.98 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.219999999999999 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -142.87 134.37 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.099999999999994 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.52 112.7 7.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 71.030000000000001 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -109.38 136.08 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.865 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -141.21 133.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 72.150000000000006 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 24' ' ' GLN . . . . . 0.422 ' NE2' HG23 ' O' ' 107' ' ' THR . 5.5 tp-100 -139.19 121.32 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 52.219999999999999 110.862 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -118.41 132.04 56.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 71.510000000000005 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.612 ' HG ' HG23 ' O' ' 105' ' ' THR . 0.5 OUTLIER -126.71 132.17 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.922 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -128.62 133.77 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 55.310000000000002 110.878 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -164.35 146.55 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.530000000000001 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.122 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 71.040000000000006 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 161.23 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.835 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.23 160.16 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 74.109999999999999 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 132.41 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 64.030000000000001 112.466 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 74.120000000000005 111.115 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -140.09 114.96 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.902 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 140.62 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 111.12 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -133.82 135.33 43.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 72.040000000000006 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.94 127.1 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.049999999999997 110.854 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -137.71 120.52 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 72.519999999999996 110.937 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.77 131.35 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 31.350000000000001 110.865 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.01 136.61 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.200000000000003 110.939 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 13' ' ' TYR . . . . . 0.566 ' C ' HD12 ' H' ' 14' ' ' LEU . 10.3 t80 -134.28 131.15 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 110.91 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.566 HD12 ' C ' ' H' ' 13' ' ' TYR . 10.7 mp -126.17 122.69 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 62.140000000000001 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.2 122.78 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.849 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -136.98 123.02 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 61.140000000000001 110.885 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.35 47.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 71.150000000000006 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.05 143.78 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.894 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -136.91 143.55 43.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -140.22 135.01 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 62.420000000000002 110.911 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.25 112.05 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.41 136.82 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.29 129.92 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 65.030000000000001 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -139.99 116.76 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.864 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -119.06 129.99 55.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 71.519999999999996 110.94 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.579 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.5 OUTLIER -128.58 132.1 48.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.872 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -129.41 130.05 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.919 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.85 144.66 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 64.129999999999995 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 111.125 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 64.450000000000003 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.09 151.14 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 110.798 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 127.57 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.329999999999998 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 104' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.83 138.36 10.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 53.32 112.477 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.821 HG23 HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -134.54 120.09 19.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.319999999999993 111.146 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -118.52 127.58 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 107' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 24' ' ' GLN . 22.2 p -128.89 116.09 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 111.19 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 25.0 p -122.3 128.81 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 72.239999999999995 110.893 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -128.62 127.62 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 51.210000000000001 110.831 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -129.71 130.61 45.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 110.886 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -136.82 141.68 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 74.219999999999999 110.816 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 135.49 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 63.409999999999997 110.907 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -129.88 121.51 26.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 42.100000000000001 110.908 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -121.29 127.18 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 74.409999999999997 110.855 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.56 115.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 65.010000000000005 110.822 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.87 141.28 46.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 64.329999999999998 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 117' ' ' ARG . . . . . 0.616 ' HD2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -147.16 150.88 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 74.120000000000005 110.819 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.79 144.9 46.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.039999999999999 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.16 123.68 13.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -130.81 132.42 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.120000000000005 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -136.41 123.71 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.219999999999999 110.822 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -142.22 142.74 32.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 64.120000000000005 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -141.74 154.96 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 74.5 111.158 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 124' ' ' GLN . . . . . 0.443 ' OE1' HG22 ' A' ' 7' ' ' THR . 1.9 tm0? -128.62 134.75 48.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -135.79 118.4 15.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' J' ' 126' ' ' LEU . 9.7 tt -128.72 131.54 47.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.981 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 124.42 35.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 70.439999999999998 110.901 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.16 132.16 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.219999999999999 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 111.152 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 75.310000000000002 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.22 151.39 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 53.43 110.823 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.7 125.59 54.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 104' ' ' GLY . . . . . 0.587 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -135.84 135.84 8.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 74.239999999999995 112.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 105' ' ' THR . . . . . 0.522 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.2 OUTLIER -133.06 119.3 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 64.310000000000002 111.142 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' D' ' 25' ' ' TRP . 10.3 t80 -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 63.25 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 107' ' ' THR . . . . . 0.454 HG22 ' CG ' ' D' ' 24' ' ' GLN . 21.5 p -126.91 116.5 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.158 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 25.1 p -122.97 123.57 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 70.420000000000002 110.841 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 22.8 m-20 -130.57 129.26 42.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 71.409999999999997 110.923 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -130.4 127.73 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.140000000000001 110.968 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -136.06 145.32 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 64.409999999999997 110.82 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.84 137.1 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 74.430000000000007 110.934 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.05 121.97 34.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.941 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -123.64 128.68 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 53.100000000000001 110.955 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -135.19 117.66 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.812 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.85 140.02 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 53.149999999999999 110.799 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.12 148.93 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 110.886 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.36 147.61 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.109999999999999 110.883 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HD2' ' B' ' 12' ' ' LYS . . . -141.83 127.36 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.030000000000001 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -129.3 131.35 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.928 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -137.77 126.69 24.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 72.010000000000005 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -140.63 140.74 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.4 m -142.5 151.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 64.230000000000004 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -130.33 139.41 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 71.200000000000003 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 125' ' ' TRP . . . . . 0.406 ' HB2' ' CD2' ' B' ' 6' ' ' PHE . 31.6 m95 -129.27 120.52 25.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 70.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' I' ' 126' ' ' LEU . 9.1 tt -128.24 128.67 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.866 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.37 126.49 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.893 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -121.55 130.73 53.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 42.100000000000001 110.835 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 111.189 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 74.540000000000006 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -114.35 143.68 44.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.150000000000006 110.822 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.41 129.59 55.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 75.209999999999994 110.933 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.58 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -137.28 138.44 9.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 73.299999999999997 112.55 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.68 ' HB ' HD23 ' C' ' 26' ' ' LEU . 11.6 t -128.03 134.22 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.200000000000003 111.071 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 106' ' ' PHE . . . . . 0.448 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 19.6 t80 -125.49 121.45 33.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.915 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 107' ' ' THR . . . . . 0.727 HG22 ' HG3' ' C' ' 24' ' ' GLN . 6.5 p -129.27 122.73 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.510000000000005 111.163 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -143.03 145.14 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 61.420000000000002 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -147.75 151.34 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 54.130000000000003 110.9 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -136.58 142.71 43.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.935 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -135.62 139.94 44.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 63.009999999999998 110.827 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 112' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -135.61 137.13 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.040000000000006 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.08 115.0 11.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.209999999999994 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.605 HD11 ' NE ' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.22 129.49 55.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.9 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.81 120.19 19.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 63.530000000000001 110.826 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.12 126.57 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.84 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.828 ' HD2' HD23 ' C' ' 14' ' ' LEU . 13.6 mtp180 -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 73.109999999999999 110.886 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.05 125.62 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.12 123.09 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.239999999999995 111.056 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -139.77 121.29 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -130.66 125.72 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -139.04 140.62 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 73.349999999999994 110.938 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' C' ' 8' ' ' SER . 2.9 m -143.87 152.37 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 44.509999999999998 111.132 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.22 145.02 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 65.129999999999995 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -143.7 114.95 7.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.4 137.65 54.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 62.43 110.92 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.62 124.21 27.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.439999999999998 110.892 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.74 129.4 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.040000000000006 110.913 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.019999999999996 111.126 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.804 0.335 . . . . 71.5 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 144.5 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 64.040000000000006 110.833 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -109.34 125.5 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 63.439999999999998 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.593 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -141.83 135.17 6.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 72.549999999999997 112.49 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.63 ' HB ' HD23 ' F' ' 26' ' ' LEU . 7.3 t -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 75.319999999999993 111.189 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -126.78 122.48 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.530000000000001 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -125.45 124.64 41.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.319999999999993 111.146 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.77 139.59 31.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 62.25 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -151.85 152.72 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 73.150000000000006 110.912 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -135.26 140.44 45.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 110.96 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -136.07 138.06 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 52.329999999999998 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.546 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.07 139.45 39.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 51.219999999999999 110.904 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -135.8 116.38 13.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.968 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' K' ' 114' ' ' LEU . 0.0 OUTLIER -116.13 130.26 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 72.450000000000003 110.886 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -137.05 120.54 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 110.873 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.71 127.91 39.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.439999999999998 110.858 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.481 ' HG2' HD12 ' F' ' 14' ' ' LEU . 13.8 mtp180 -125.95 124.44 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.14 128.94 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 63.229999999999997 110.884 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.8 123.53 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 111.112 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -136.25 122.32 20.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.430000000000007 110.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.98 124.79 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.510000000000005 110.806 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -138.07 141.43 40.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 71.319999999999993 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' F' ' 8' ' ' SER . 4.6 m -142.25 153.39 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.141 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.13 148.54 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 75.420000000000002 110.902 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -142.0 116.46 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 138.68 54.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 71.450000000000003 110.944 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.52 125.79 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.892 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -121.68 127.37 50.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 75.329999999999998 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 54.109999999999999 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 72.109999999999999 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 56.8 p -110.04 171.12 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 73.230000000000004 110.906 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 103' ' ' GLN . . . . . 0.623 HE21 HD21 ' E' ' 26' ' ' LEU . 7.4 tm0? -114.21 129.31 56.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.935 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.554 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -136.17 138.61 10.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 75.200000000000003 112.49 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.645 ' HB ' HD23 ' E' ' 26' ' ' LEU . 5.3 t -125.55 125.6 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 71.239999999999995 111.233 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -121.48 121.8 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 72.400000000000006 110.868 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.88 131.83 53.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 71.439999999999998 111.17 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.62 124.67 20.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.871 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.24 125.7 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.905 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -123.38 127.92 49.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 110.902 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.58 134.24 45.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 65.409999999999997 110.91 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 139.7 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 72.400000000000006 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.4 123.41 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.099999999999994 110.903 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -123.69 125.33 44.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.926 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.26 117.38 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.884 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.62 145.39 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 110.867 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 117' ' ' ARG . . . . . 0.718 ' NE ' HD12 ' E' ' 14' ' ' LEU . 7.4 mtp180 -144.11 143.4 31.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.839 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -140.32 131.1 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.219999999999999 110.912 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.72 123.05 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.510000000000005 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.94 122.42 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -130.57 120.61 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.129999999999995 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -140.58 142.34 35.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 110.912 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.1 m -141.16 153.05 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 72.530000000000001 111.159 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.13 128.91 44.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.299999999999997 110.924 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -129.38 128.59 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' N' ' 126' ' ' LEU . 3.6 tt -134.56 135.49 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.099999999999994 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.67 124.67 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -124.23 134.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 62.130000000000003 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.25 111.11 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 74.239999999999995 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 56.7 p -109.52 171.13 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 62.520000000000003 110.9 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 103' ' ' GLN . . . . . 0.506 ' OE1' HD21 ' H' ' 26' ' ' LEU . 1.1 tm0? -114.28 125.8 54.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 70.219999999999999 110.942 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.579 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -138.79 137.0 8.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 54.030000000000001 112.518 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -127.42 126.18 41.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.019999999999996 111.152 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -119.25 121.59 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 74.329999999999998 110.853 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.59 131.58 55.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 74.340000000000003 111.131 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.31 123.95 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.45 127.19 34.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -122.2 127.57 50.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 50.539999999999999 110.924 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.2 136.19 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.349999999999994 110.905 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.528 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -134.15 142.57 47.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 63.329999999999998 110.934 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -137.89 123.18 19.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.94 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -124.24 124.53 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.319999999999993 110.919 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.95 118.93 21.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.549999999999997 110.838 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.68 141.41 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.91 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 117' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' F' ' 14' ' ' LEU . 8.3 mtp180 -143.82 147.22 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 64.209999999999994 110.856 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -149.02 131.72 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 70.409999999999997 110.857 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 119' ' ' ALA . . . . . 0.698 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -131.82 123.66 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 51.119999999999997 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -124.77 122.04 36.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.895 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 72.409999999999997 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -139.65 141.49 37.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 70.099999999999994 110.864 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.68 149.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.120000000000005 111.175 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -130.5 130.37 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 64.349999999999994 110.899 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -125.47 129.93 50.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 62.020000000000003 110.916 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' M' ' 126' ' ' LEU . 2.7 tt -134.43 132.96 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.420000000000002 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.89 127.74 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.519999999999996 110.84 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -123.68 132.41 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 63.420000000000002 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 111.1 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' O' O ' 101' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' P' ' 102' ' ' SER . 90.1 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.332 . . . . 65.400000000000006 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 102' ' ' SER . . . . . 0.472 ' HG ' ' CE1' ' P' ' 101' ' ' HIS . 9.7 m -102.59 179.42 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 110.868 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -117.88 145.09 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 62.350000000000001 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.408 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -148.94 149.82 21.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 62.299999999999997 112.504 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.612 HG23 ' HG ' ' G' ' 26' ' ' LEU . 3.8 m -138.36 125.41 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.430000000000007 111.181 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -120.92 119.38 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 107' ' ' THR . . . . . 0.422 HG23 ' NE2' ' G' ' 24' ' ' GLN . 0.3 OUTLIER -117.44 129.73 56.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 75.319999999999993 111.078 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.33 130.06 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.109999999999999 110.864 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -133.48 114.86 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.209999999999994 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.66 134.2 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.014 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.53 134.63 30.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.310000000000002 110.835 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 132.54 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 71.400000000000006 110.871 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.2 117.47 20.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.962 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -121.77 122.06 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 43.509999999999998 110.92 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.1 113.85 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.813 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.56 132.94 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.140000000000001 110.858 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.422 HH21 HD11 ' G' ' 14' ' ' LEU . 8.1 ptm180 -143.46 153.27 42.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.430000000000007 110.878 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 145.77 27.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 70.120000000000005 110.883 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.49 127.73 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.349999999999994 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -123.69 121.98 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.510000000000005 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -128.05 123.4 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 75.439999999999998 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.73 143.35 32.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.887 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.7 m -141.1 151.6 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 111.113 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 137.73 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -136.22 127.72 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 71.450000000000003 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.707 HD13 HD13 ' P' ' 126' ' ' LEU . 9.5 tt -130.5 133.9 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.907 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.419 ' N ' HD23 ' O' ' 126' ' ' LEU . 0.7 OUTLIER -128.21 127.72 43.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.899 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -128.2 134.22 49.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 64.510000000000005 110.88 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 111.073 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 101' ' ' HIS . . . . . 0.472 ' CE1' ' HG ' ' O' ' 102' ' ' SER . 90.2 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 73.349999999999994 110.796 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 102' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' O' ' 101' ' ' HIS . 10.8 m -102.44 179.5 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.099999999999994 110.852 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -118.78 144.29 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.81 149.37 21.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 44.140000000000001 112.472 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 3.9 m -137.2 126.75 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 64.219999999999999 111.12 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.25 119.23 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.450000000000003 110.871 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 129.79 55.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 72.040000000000006 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.18 131.29 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 44.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.32 116.2 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 71.540000000000006 110.84 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.25 134.09 52.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 110.897 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.79 134.56 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 54.109999999999999 110.92 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 112' ' ' LYS . . . . . 0.563 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -132.15 132.98 43.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.409999999999997 110.921 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -129.59 117.69 20.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 64.540000000000006 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -120.42 123.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.877 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -135.85 112.95 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.340000000000003 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.92 135.35 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.010000000000005 110.833 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.27 154.51 43.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 71.209999999999994 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.08 146.32 27.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 63.210000000000001 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.11 126.84 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.420000000000002 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.97 122.78 38.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -131.68 121.98 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 53.310000000000002 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -142.3 143.34 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 53.210000000000001 110.807 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.24 149.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 54.549999999999997 111.107 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 136.43 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.209999999999994 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -135.07 128.94 33.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.954 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.715 HD11 HE22 ' G' ' 3' ' ' GLN . 9.9 tt -130.94 134.27 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.439999999999998 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.36 130.95 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.861 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.59 133.41 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.319999999999993 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 71.540000000000006 111.214 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.787 0.327 . . . . 65.120000000000005 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.44 112.23 16.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 65.019999999999996 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 m -125.53 147.14 49.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 111.159 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.66 ' HA ' HG12 ' I' ' 123' ' ' VAL . 58.4 m -146.77 134.64 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 54.539999999999999 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.61 133.61 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -143.75 125.47 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.409999999999997 110.925 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.04 143.85 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 65.329999999999998 110.834 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -147.1 145.3 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 75.400000000000006 110.821 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -140.91 134.34 29.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.099999999999994 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.26 125.39 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.25 110.948 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -127.28 122.82 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.530000000000001 110.848 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.65 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 110.926 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.636 ' NH1' HD11 ' J' ' 114' ' ' LEU . 1.0 OUTLIER -124.84 131.95 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.349999999999994 110.886 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -128.31 128.65 45.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.109999999999999 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.77 137.49 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 35.140000000000001 111.098 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.59 124.1 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -119.08 124.47 46.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.58 123.56 39.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.019999999999996 110.914 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -138.63 123.04 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.230000000000004 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.9 OUTLIER -129.03 148.17 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 110.894 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -147.63 135.41 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 110.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -131.57 145.01 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.020000000000003 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.466 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 1.7 ptp -133.07 144.08 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 71.209999999999994 110.908 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -152.65 157.29 40.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.675 HG23 ' HA ' ' I' ' 101' ' ' HIS . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 111.134 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 62.350000000000001 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -131.32 152.87 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 110.895 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -165.7 165.43 18.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 75.140000000000001 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.24 133.95 3.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 64.319999999999993 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.792 HG22 ' HG ' ' J' ' 126' ' ' LEU . 9.2 p -123.82 119.48 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 54.210000000000001 111.058 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -127.22 117.55 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.407 HG23 ' HB2' ' J' ' 124' ' ' GLN . 13.3 m -119.01 149.06 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 60.420000000000002 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -141.47 135.55 30.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.72 133.5 36.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 64.319999999999993 110.764 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -142.87 127.89 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.430000000000007 110.829 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.7 144.47 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 74.519999999999996 110.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.453 ' HE3' HD11 ' B' ' 14' ' ' LEU . 35.5 ttpt -144.88 148.5 33.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.911 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -137.72 133.86 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 71.540000000000006 110.911 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.453 HD11 ' HE3' ' B' ' 12' ' ' LYS . 2.8 mp -124.91 122.78 38.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 73.439999999999998 110.899 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.07 124.06 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.349999999999994 110.89 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.54 119.8 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 51.109999999999999 110.926 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.04 129.14 51.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 72.329999999999998 110.857 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -131.26 129.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' J' ' 112' ' ' LYS . . . -126.73 135.79 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 72.150000000000006 111.092 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -133.32 124.71 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.229999999999997 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.06 126.46 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.834 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.68 124.01 41.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.46 122.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 55.240000000000002 111.092 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.15 148.65 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 71.329999999999998 110.885 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -146.61 134.21 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.938 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.17 144.83 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.510000000000005 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptp -132.75 143.21 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 73.209999999999994 110.84 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -152.15 157.88 42.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.239999999999995 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 61.100000000000001 111.12 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.774 0.321 . . . . 72.209999999999994 110.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.59 149.89 52.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 51.539999999999999 110.825 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.43 135.84 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.009999999999998 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.71 128.32 5.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 55.020000000000003 112.47 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -125.93 117.92 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 71.150000000000006 111.134 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -125.08 119.9 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.109999999999999 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -129.22 147.11 51.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 70.319999999999993 111.154 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -139.87 135.04 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.239999999999995 110.809 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -135.72 128.34 30.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 72.120000000000005 110.872 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -136.69 122.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.976 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.74 133.17 45.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.409999999999997 110.865 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LYS . . . . . 0.404 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.2 OUTLIER -140.27 140.44 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.895 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -134.58 137.49 43.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 42.210000000000001 110.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.411 HD12 ' N ' ' C' ' 14' ' ' LEU . 4.7 mp -127.96 121.48 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -126.86 123.17 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.299999999999997 110.809 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -134.72 121.3 20.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.120000000000005 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.482 ' HD3' HD11 ' L' ' 114' ' ' LEU . 7.0 ptm180 -126.29 134.59 51.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 74.530000000000001 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -129.26 135.95 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 73.129999999999995 110.885 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.12 131.4 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.319999999999993 111.096 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.87 125.39 29.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.209999999999994 110.911 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.47 128.02 43.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -124.0 124.36 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.49 119.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 61.25 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.51 121.96 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -117.72 129.73 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.3 OUTLIER -132.5 136.8 46.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.549999999999997 110.903 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.73 132.44 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 110.853 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -160.45 145.71 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 111.168 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.813 0.34 . . . . 75.439999999999998 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.33 149.23 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.859 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.19 130.49 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 72.349999999999994 110.889 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.77 129.82 5.44 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 45.229999999999997 112.45 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -122.57 117.1 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 72.450000000000003 111.174 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.71 119.46 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -123.7 146.51 48.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.084 -0.507 . . . . 61.32 111.111 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' HG12 ' J' ' 123' ' ' VAL . 5.0 t -137.72 135.12 36.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.832 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.41 127.42 25.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 75.340000000000003 110.867 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -135.75 122.07 20.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 70.400000000000006 110.957 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 133.84 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.400000000000006 110.853 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' L' ' 119' ' ' ALA . 0.2 OUTLIER -138.6 141.05 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 74.239999999999995 110.897 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.5 137.04 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.638 HD13 HH11 ' L' ' 117' ' ' ARG . 4.8 mp -129.19 121.48 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.319999999999993 110.928 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -125.86 124.29 40.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.120000000000005 110.869 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -134.13 119.62 19.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.310000000000002 110.865 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -125.65 134.0 52.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 72.209999999999994 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -130.79 136.14 48.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.24 131.55 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 111.159 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.55 126.96 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 51.439999999999998 110.843 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.91 130.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.120000000000005 110.901 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.26 124.41 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.439999999999998 110.832 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -136.66 117.71 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 64.239999999999995 111.138 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.33 117.04 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 72.400000000000006 110.915 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -118.71 131.34 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.319999999999993 110.969 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' J' ' 105' ' ' THR . 0.3 OUTLIER -133.16 139.24 46.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 129.71 25.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.912 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -164.2 144.93 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.019999999999996 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 65.049999999999997 111.173 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.75 0.31 . . . . 64.510000000000005 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -144.44 153.01 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 45.200000000000003 110.876 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -168.81 133.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 126.1 6.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 60.049999999999997 112.467 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' THR . . . . . 0.533 HG22 HD12 ' K' ' 126' ' ' LEU . 6.5 p -129.86 122.67 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 63.450000000000003 111.185 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.72 113.38 17.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 75.239999999999995 110.852 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 7' ' ' THR . . . . . 0.439 HG23 ' HB2' ' K' ' 124' ' ' GLN . 0.2 OUTLIER -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 72.030000000000001 111.085 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.647 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -133.15 134.6 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 72.420000000000002 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.58 122.27 23.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.349999999999994 110.87 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -125.39 122.62 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.69 131.7 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.881 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 12' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' E' ' 14' ' ' LEU . 1.3 ttpm? -145.19 121.23 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.17 124.61 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 75.049999999999997 110.929 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.739 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.6 OUTLIER -113.99 112.91 24.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.876 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -119.3 122.21 41.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.909 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -136.43 139.51 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 74.129999999999995 110.841 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -141.16 137.42 32.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.519 . . . . 74.129999999999995 110.806 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -129.5 125.81 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.63 135.79 53.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 111.089 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.45 124.2 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.22 122.26 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 54.350000000000001 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -113.65 132.17 55.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.921 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.39 122.02 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.530000000000001 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 24' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' M' ' 107' ' ' THR . 0.6 OUTLIER -152.08 135.97 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 74.030000000000001 110.908 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.7 p-90 -136.86 141.46 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 70.319999999999993 110.88 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.773 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.6 tm? -120.75 129.45 53.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.547 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.6 ptp -122.48 134.02 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.839 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.23 140.03 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.340000000000003 110.968 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 111.18 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -143.64 154.72 43.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -162.85 130.3 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 72.310000000000002 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 4' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' L' ' 127' ' ' MET . . . -126.66 129.69 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 63.310000000000002 112.456 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 5' ' ' THR . . . . . 0.984 HG22 HD23 ' N' ' 126' ' ' LEU . 7.8 p -123.13 119.32 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 65.140000000000001 111.119 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -127.85 115.07 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.129999999999995 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 7' ' ' THR . . . . . 0.486 HG23 ' HB2' ' N' ' 124' ' ' GLN . 0.2 OUTLIER -116.97 139.43 50.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 111.121 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.8 t -131.9 134.63 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 62.219999999999999 110.868 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.85 120.02 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -124.22 120.11 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.899 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.16 131.56 53.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 64.230000000000004 110.808 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.674 ' HE3' HD11 ' F' ' 14' ' ' LEU . 1.4 ttpm? -144.94 122.95 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 54.240000000000002 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 122.38 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 60.219999999999999 110.929 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' F' ' 12' ' ' LYS . 0.8 OUTLIER -112.07 112.96 24.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 71.319999999999993 110.96 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -117.76 122.07 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.9 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -135.14 139.6 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 62.210000000000001 110.857 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' ARG . . . . . 0.679 ' HD3' HD11 ' K' ' 114' ' ' LEU . 6.2 ptm180 -140.95 133.96 29.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.857 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -129.93 125.85 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 72.230000000000004 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.77 135.04 54.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 54.43 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.56 124.87 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.855 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.1 123.95 29.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 50.020000000000003 110.823 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -113.07 132.01 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 72.409999999999997 110.888 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.7 t -142.62 123.25 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.150000000000006 111.156 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.32 132.0 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.230000000000004 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -136.31 138.88 42.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.140000000000001 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.665 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.1 tm? -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 50.020000000000003 110.946 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -121.55 130.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.834 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.85 139.66 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.510000000000005 111.14 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.756 0.312 . . . . 73.109999999999999 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -145.81 158.16 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.882 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -167.18 169.3 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.140000000000001 110.926 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 4' ' ' GLY . . . . . 0.438 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -157.28 128.08 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.765 . . . . 64.209999999999994 112.46 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -124.72 121.24 34.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 41.32 111.126 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -125.8 116.05 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.329999999999998 110.845 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.33 141.89 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 70.319999999999993 111.114 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' O' ' 123' ' ' VAL . 11.3 t -136.12 135.14 39.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.897 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.39 129.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.510000000000005 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -132.83 129.5 38.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.954 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.14 131.53 48.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.400000000000006 110.799 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 12' ' ' LYS . . . . . 0.67 ' CE ' HD11 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -141.17 122.08 14.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 71.430000000000007 110.873 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.04 127.71 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.99 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 12' ' ' LYS . 0.9 OUTLIER -114.54 112.6 23.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.898 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -118.19 121.91 41.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.37 137.28 37.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 65.109999999999999 110.915 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 17' ' ' ARG . . . . . 0.518 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.7 ptm180 -140.35 136.9 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.030000000000001 110.853 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 134.27 47.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.846 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.79 135.24 51.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.219999999999999 111.048 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -139.97 131.87 27.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.099999999999994 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.030000000000001 110.892 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.89 134.96 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 74.340000000000003 110.927 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 28.6 t -145.77 117.42 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 72.150000000000006 111.09 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 24' ' ' GLN . . . . . 0.671 ' HB2' HG23 ' O' ' 107' ' ' THR . 0.0 OUTLIER -149.44 135.34 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 52.219999999999999 110.933 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 25' ' ' TRP . . . . . 0.486 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 10.0 p-90 -137.9 138.48 39.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 71.510000000000005 110.92 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.829 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.0 tm? -122.98 125.42 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.219999999999999 110.875 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.598 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -126.0 132.56 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 55.310000000000002 110.874 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.78 148.82 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 64.530000000000001 110.834 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 29' ' ' THR . . . . . 0.63 HG21 ' CD2' ' O' ' 101' ' ' HIS . 2.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.010000000000005 111.149 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.748 0.309 . . . . 71.040000000000006 110.784 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -145.63 159.15 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.540000000000006 110.783 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.15 165.7 19.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 74.109999999999999 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.3 130.36 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 64.030000000000001 112.425 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -119.47 119.78 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.120000000000005 111.175 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -127.0 117.64 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.863 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -124.26 141.48 52.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 111.089 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.487 ' HA ' HG12 ' N' ' 123' ' ' VAL . 11.2 t -132.87 135.22 45.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 72.040000000000006 110.828 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.01 126.52 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 74.049999999999997 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -132.41 126.77 33.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.519999999999996 110.829 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.49 130.66 49.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 31.350000000000001 110.841 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 12' ' ' LYS . . . . . 0.737 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -142.42 123.96 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 72.200000000000003 110.927 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.69 HD11 ' NZ ' ' H' ' 12' ' ' LYS . 1.7 mp -114.38 113.57 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 62.140000000000001 110.903 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -118.23 122.88 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.6 136.85 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 61.140000000000001 110.875 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -141.05 136.96 32.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 71.150000000000006 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.01 44.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 63.009999999999998 110.886 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 19' ' ' ALA . . . . . 0.591 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -125.95 135.43 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.136 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -140.0 133.03 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 62.420000000000002 110.899 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -141.02 142.56 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -129.53 136.94 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.898 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 23' ' ' VAL . . . . . 0.431 HG13 ' OG ' ' P' ' 108' ' ' SER . 26.2 t -145.6 118.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 65.030000000000001 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 24' ' ' GLN . . . . . 0.485 ' HB2' HG23 ' N' ' 107' ' ' THR . 0.0 OUTLIER -150.07 127.94 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 110.939 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -139.05 136.93 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.519999999999996 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.767 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.4 tm? -125.19 123.93 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.945 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 130.29 52.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.842 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -166.02 149.27 7.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 64.129999999999995 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 29' ' ' THR . . . . . 0.489 HG23 ' CA ' ' P' ' 102' ' ' SER . 2.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 65.219999999999999 111.196 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 101' ' ' HIS . . . . . 0.675 ' HA ' HG23 ' A' ' 29' ' ' THR . 8.2 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.738 0.304 . . . . 64.450000000000003 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 26.3 p -147.88 163.79 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 72.010000000000005 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -107.34 127.08 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 63.329999999999998 110.914 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 104' ' ' GLY . . . . . 0.466 ' HA3' ' HE3' ' A' ' 27' ' ' MET . . . -134.49 139.08 10.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.5 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.8 118.73 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 73.319999999999993 111.11 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -119.95 125.2 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.409999999999997 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 107' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -124.02 120.48 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 111.239 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.4 127.39 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.82 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.38 137.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 51.210000000000001 110.818 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -135.48 127.7 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.934 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -120.69 134.37 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.842 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -130.67 129.28 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 63.409999999999997 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -132.53 116.11 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 42.100000000000001 110.961 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -118.75 126.09 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.409999999999997 110.915 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -135.03 109.86 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 65.010000000000005 110.892 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.66 133.59 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 64.329999999999998 110.852 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -138.96 139.76 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.845 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.75 149.26 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 63.039999999999999 110.849 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.0 123.47 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.439999999999998 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.73 128.7 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 64.120000000000005 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.08 131.18 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 63.219999999999999 110.85 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -146.19 143.63 29.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.889 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 8' ' ' SER . 14.9 m -139.78 158.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.191 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.85 135.88 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.049999999999997 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -135.39 114.09 11.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 110.914 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.482 HD23 ' N ' ' I' ' 127' ' ' MET . 6.5 tt -120.06 131.45 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.099999999999994 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 127' ' ' MET . . . . . 0.482 ' N ' HD23 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -127.23 126.48 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.867 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -127.26 139.4 52.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 65.219999999999999 110.846 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 64.439999999999998 111.21 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.863 0.363 . . . . 75.310000000000002 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 26.1 p -148.15 164.06 35.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 53.43 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -106.96 126.13 51.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 110.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.51 138.28 9.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 74.239999999999995 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 105' ' ' THR . . . . . 0.639 HG23 ' CD1' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -131.32 119.2 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 64.310000000000002 111.098 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -121.48 123.54 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.25 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.46 118.84 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 73.219999999999999 111.188 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.83 124.47 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 70.420000000000002 110.894 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.81 141.19 36.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.871 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -134.66 127.59 31.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.986 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -118.15 135.01 54.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 64.409999999999997 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.416 ' CD ' ' HB2' ' B' ' 19' ' ' ALA . 20.7 tptp -131.57 129.84 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -129.64 117.14 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.099999999999994 110.886 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.636 HD11 ' NH1' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -120.57 126.3 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 53.100000000000001 110.925 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.34 111.24 10.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.859 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.96 129.83 42.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 53.149999999999999 110.861 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -142.12 140.25 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.856 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.92 151.05 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.936 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.75 125.16 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 111.065 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.9 128.7 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.450000000000003 110.92 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.58 134.72 37.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -144.8 141.7 29.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 72.209999999999994 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 123' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' D' ' 8' ' ' SER . 17.0 m -139.51 156.16 26.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 64.230000000000004 111.11 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 124' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' B' ' 7' ' ' THR . 16.7 tt0 -138.56 139.97 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 71.200000000000003 110.853 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -131.14 115.41 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 70.25 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.792 ' HG ' HG22 ' B' ' 5' ' ' THR . 6.5 tt -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 127' ' ' MET . . . . . 0.454 ' N ' HD23 ' J' ' 126' ' ' LEU . 0.3 OUTLIER -127.48 130.22 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.833 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -126.12 137.04 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 42.100000000000001 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 74.540000000000006 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -154.42 169.76 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.150000000000006 110.886 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.05 126.84 47.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.209999999999994 110.922 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.33 136.56 8.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 73.299999999999997 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.524 HG23 ' HG ' ' C' ' 26' ' ' LEU . 13.2 m -131.38 137.91 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 75.200000000000003 111.111 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -134.85 110.72 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.884 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 4.8 m -109.5 118.87 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 71.510000000000005 111.114 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.83 127.56 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.2 138.17 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 54.130000000000003 110.843 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.64 127.79 39.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.868 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -129.31 134.23 47.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 63.009999999999998 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 112' ' ' LYS . . . . . 0.549 ' CE ' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -135.16 133.64 39.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.859 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -132.37 115.58 15.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.209999999999994 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.679 HD11 ' HD3' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.32 114.58 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.956 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.58 113.39 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 63.530000000000001 110.83 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 18.5 p -131.12 129.99 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 110.859 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -137.73 137.65 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.109999999999999 110.792 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.35 143.4 50.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.209999999999994 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.95 122.85 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.239999999999995 111.109 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.03 125.34 29.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.030000000000001 110.872 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -132.81 120.89 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.120000000000005 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -135.72 141.68 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.349999999999994 110.861 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.3 m -142.0 156.13 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 44.509999999999998 111.134 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 124' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' E' ' 7' ' ' THR . 1.7 tt0 -133.1 138.81 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 65.129999999999995 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -135.92 110.86 8.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.533 HD12 HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -116.95 128.09 54.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 62.43 110.872 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.33 124.03 40.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.883 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -124.7 139.1 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.040000000000006 110.836 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.019999999999996 111.145 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.5 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -154.34 169.44 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 64.040000000000006 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 126.31 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 63.439999999999998 110.877 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.568 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -133.88 135.05 7.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.82 -0.705 . . . . 72.549999999999997 112.511 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.665 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.8 m -131.29 132.73 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.319999999999993 111.159 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -130.62 109.32 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.530000000000001 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 4.6 m -107.84 117.37 33.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.319999999999993 111.181 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 124.54 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.843 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.29 138.52 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.804 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -130.04 127.6 40.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.858 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -128.71 134.65 48.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.329999999999998 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.547 ' CE ' HD12 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -135.1 133.84 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 51.219999999999999 110.923 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -130.1 115.25 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.547 HD12 ' CE ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -117.97 114.84 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.450000000000003 110.87 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.21 114.26 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 63.409999999999997 110.855 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 17.6 p -129.88 130.0 44.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.439999999999998 110.807 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 117' ' ' ARG . . . . . 0.638 HH11 HD13 ' D' ' 14' ' ' LEU . 8.6 ptm180 -137.4 135.06 36.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.815 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.78 145.17 50.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 63.229999999999997 110.929 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' HG3' ' D' ' 12' ' ' LYS . . . -139.66 126.18 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 73.430000000000007 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.46 126.43 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.430000000000007 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -133.39 121.6 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -134.51 138.02 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.319999999999993 110.91 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' F' ' 8' ' ' SER . 7.6 m -142.48 152.75 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 111.157 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -136.71 141.32 43.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 114.94 13.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.542 HD23 ' O ' ' L' ' 126' ' ' LEU . 0.5 OUTLIER -118.51 127.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.450000000000003 110.899 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 127' ' ' MET . . . . . 0.414 ' HE3' ' HA2' ' F' ' 4' ' ' GLY . 0.0 OUTLIER -124.66 126.79 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.857 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -121.22 136.92 54.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 54.109999999999999 111.181 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.832 0.349 . . . . 72.109999999999999 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.26 176.37 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.876 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -119.48 130.65 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.409999999999997 110.925 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.54 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.4 138.84 9.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 75.200000000000003 112.497 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.773 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.1 t -126.18 130.55 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 71.239999999999995 111.128 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 106' ' ' PHE . . . . . 0.459 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 21.2 t80 -121.45 118.16 28.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.400000000000006 110.86 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 107' ' ' THR . . . . . 0.605 HG23 ' HB2' ' E' ' 24' ' ' GLN . 2.7 m -125.31 121.87 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 111.115 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -139.25 142.48 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.895 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.23 131.36 19.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.51 132.33 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.129999999999995 110.923 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.75 137.46 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.409999999999997 110.861 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 112' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -136.51 135.27 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 72.400000000000006 110.924 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -128.54 121.13 28.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.099999999999994 110.916 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -119.83 125.05 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 110.906 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.15 122.63 30.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.971 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -132.69 129.79 39.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.430000000000007 110.856 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 117' ' ' ARG . . . . . 0.739 ' HD2' HD23 ' E' ' 14' ' ' LEU . 3.3 mtp85 -131.11 125.05 32.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.400000000000006 110.918 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.82 119.83 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.219999999999999 110.915 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 119' ' ' ALA . . . . . 0.564 ' HB3' ' HG3' ' G' ' 12' ' ' LYS . . . -128.12 122.79 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 70.510000000000005 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -142.84 121.45 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -128.25 125.92 39.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 72.129999999999995 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -139.54 143.98 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 110.856 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.3 m -140.99 155.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 72.530000000000001 111.176 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -129.15 133.27 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.24 109.39 11.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.732 HD22 ' N ' ' M' ' 127' ' ' MET . 0.3 OUTLIER -115.48 114.86 25.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 74.099999999999994 110.923 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 127' ' ' MET . . . . . 0.732 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.1 OUTLIER -117.11 122.44 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.120000000000005 110.943 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -122.24 136.79 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 62.130000000000003 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.197 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.59 176.58 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 62.520000000000003 110.821 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 103' ' ' GLN . . . . . 0.693 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.2 tm0? -118.98 129.99 55.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 70.219999999999999 110.865 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.434 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.71 137.39 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 54.030000000000001 112.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 105' ' ' THR . . . . . 0.767 ' HB ' HD23 ' H' ' 26' ' ' LEU . 15.0 t -129.7 130.54 45.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 73.019999999999996 111.119 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -122.55 118.16 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.329999999999998 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 107' ' ' THR . . . . . 0.485 HG23 ' HB2' ' H' ' 24' ' ' GLN . 2.7 m -118.95 123.66 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 111.13 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -141.11 138.91 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -146.95 132.28 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 72.319999999999993 110.83 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -120.16 129.68 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.539999999999999 110.868 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.98 137.25 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.349999999999994 110.818 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.624 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -137.47 135.74 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.329999999999998 110.898 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.48 121.63 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.230000000000004 110.966 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -119.52 125.67 49.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.925 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.97 119.46 21.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.549999999999997 110.875 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 13.1 m -134.41 131.99 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.329999999999998 110.846 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -131.34 124.16 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 64.209999999999994 110.89 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.21 120.55 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 70.409999999999997 110.86 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.9 124.66 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 51.119999999999997 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -138.0 124.77 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.25 124.46 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -136.27 142.85 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 70.099999999999994 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 123' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' H' ' 8' ' ' SER . 12.7 m -141.82 152.76 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 111.117 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 124' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' F' ' 7' ' ' THR . 4.9 tt0 -132.26 133.66 44.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 64.349999999999994 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 108.91 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 62.020000000000003 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.984 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.43 116.78 28.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 62.420000000000002 110.929 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 127' ' ' MET . . . . . 0.628 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.1 OUTLIER -117.56 128.27 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.519999999999996 110.872 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -118.83 134.41 55.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 63.420000000000002 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 71.120000000000005 111.17 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' O' O ' 101' ' ' HIS . . . . . 0.63 ' CD2' HG21 ' G' ' 29' ' ' THR . 8.0 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.321 . . . . 65.400000000000006 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.3 p -120.7 177.7 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 110.927 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.82 147.23 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.350000000000001 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.512 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.63 137.23 5.57 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 62.299999999999997 112.463 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.829 ' HB ' HD23 ' G' ' 26' ' ' LEU . 15.3 t -129.13 131.37 47.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 74.430000000000007 111.206 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 106' ' ' PHE . . . . . 0.486 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 37.1 t80 -123.46 123.35 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 62.409999999999997 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 107' ' ' THR . . . . . 0.671 HG23 ' HB2' ' G' ' 24' ' ' GLN . 3.5 m -129.55 121.97 28.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 111.136 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 142.25 36.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.109999999999999 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.2 154.28 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 73.209999999999994 110.937 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -143.14 140.17 30.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 70.439999999999998 110.957 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -147.12 139.47 24.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.310000000000002 110.875 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 141.82 36.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 71.400000000000006 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -134.91 124.24 24.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.329999999999998 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.415 ' CD2' HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -124.35 126.74 46.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 43.509999999999998 110.884 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.07 126.66 32.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.902 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 126.29 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.140000000000001 110.828 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 117' ' ' ARG . . . . . 0.419 ' HD2' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.26 126.12 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 75.430000000000007 110.896 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 118' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' G' ' 12' ' ' LYS . 5.5 mtt180 -112.12 119.47 38.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 70.120000000000005 110.963 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.78 122.29 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 111.115 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.91 121.0 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.510000000000005 110.984 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -128.0 125.12 38.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.439999999999998 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.96 141.87 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 71.310000000000002 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' G' ' 8' ' ' SER . 4.3 m -141.29 152.11 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 111.163 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 136.57 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 72.319999999999993 110.879 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -134.23 113.81 12.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 71.450000000000003 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' P' ' 126' ' ' LEU . 8.3 tt -117.1 132.01 56.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.94 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.438 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.7 mmt -124.78 136.68 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.02 137.0 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 64.510000000000005 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 72.319999999999993 111.131 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 73.349999999999994 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 102' ' ' SER . . . . . 0.489 ' CA ' HG23 ' H' ' 29' ' ' THR . 83.2 p -120.51 178.37 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 64.099999999999994 110.88 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.53 146.02 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 110.864 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.36 138.56 6.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 44.140000000000001 112.529 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 13.7 t -129.97 131.29 45.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 64.219999999999999 111.204 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -122.01 124.23 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.450000000000003 110.859 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.36 121.52 27.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 72.040000000000006 111.181 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 108' ' ' SER . . . . . 0.431 ' OG ' HG13 ' H' ' 23' ' ' VAL . 4.1 m -140.85 141.64 34.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 44.0 110.837 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.97 154.52 45.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 71.540000000000006 110.923 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -144.41 137.42 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.310000000000002 110.872 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 23.0 t -148.26 137.55 22.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 54.109999999999999 110.861 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -140.61 140.34 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 73.409999999999997 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -134.7 123.66 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 64.540000000000006 110.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.518 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -122.04 127.8 50.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.936 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.95 124.9 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.340000000000003 110.884 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 127.33 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.838 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.17 124.31 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.209999999999994 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -113.43 119.39 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 110.881 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 119' ' ' ALA . . . . . 0.737 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -124.13 123.53 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 62.420000000000002 111.121 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 124.82 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 74.329999999999998 110.874 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.2 122.85 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 53.310000000000002 110.935 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 53.210000000000001 110.905 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -142.83 148.0 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.549999999999997 111.152 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.74 134.14 47.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 71.209999999999994 110.908 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.24 114.67 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.530000000000001 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' O' ' 126' ' ' LEU . 8.2 tt -118.14 130.22 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 63.439999999999998 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.8 mmt -125.66 136.93 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.109999999999999 110.916 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -133.0 135.77 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 70.319999999999993 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 71.540000000000006 111.126 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.775 0.322 . . . . 65.120000000000005 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -135.74 111.78 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 65.019999999999996 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 m -128.54 147.63 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 111.124 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.617 ' HA ' HG12 ' I' ' 123' ' ' VAL . 11.1 t -146.46 135.45 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 54.539999999999999 110.833 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -144.61 126.2 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 74.040000000000006 110.849 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -145.44 133.71 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.409999999999997 110.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -133.45 142.54 48.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 65.329999999999998 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 140.76 47.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.400000000000006 110.854 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -141.68 126.72 18.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.911 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -125.7 129.7 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -135.33 122.88 22.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 75.530000000000001 110.867 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 p -130.3 127.3 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.219999999999999 110.852 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -123.65 139.27 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.349999999999994 110.931 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -139.06 119.87 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.01 144.15 47.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 35.140000000000001 111.146 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -135.48 124.11 23.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 74.319999999999993 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.0 124.42 50.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.57 122.25 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.019999999999996 110.815 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.62 135.37 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CD ' HG23 ' I' ' 107' ' ' THR . 1.7 tp-100 -130.32 134.7 47.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -138.75 129.88 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.602 ' CB ' HG23 ' I' ' 105' ' ' THR . 0.8 OUTLIER -134.02 150.15 51.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 63.020000000000003 110.923 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 150.08 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 110.894 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.71 176.78 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.219999999999999 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 111.142 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 62.350000000000001 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -148.22 162.18 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.230000000000004 110.912 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -164.25 161.41 21.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.29 142.83 8.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 64.319999999999993 112.542 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -132.37 136.12 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 54.210000000000001 111.154 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -138.54 115.47 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.0 m -123.3 147.41 47.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 60.420000000000002 111.127 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -143.11 137.71 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 72.099999999999994 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -144.99 121.34 10.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.938 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -146.21 134.63 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.430000000000007 110.941 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -132.04 147.96 52.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 110.862 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 74.129999999999995 110.881 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -138.56 125.72 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.540000000000006 110.884 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.94 129.34 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 73.439999999999998 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -136.41 123.64 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.349999999999994 110.827 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -127.54 128.95 46.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 51.109999999999999 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -122.35 136.94 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 72.329999999999998 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -142.93 123.35 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.425 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -117.7 143.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.150000000000006 111.09 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -135.62 127.37 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 63.229999999999997 110.916 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 128.56 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.69 123.03 34.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.510000000000005 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -138.97 130.18 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 55.240000000000002 111.172 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -134.12 140.01 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.329999999999998 110.946 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -136.55 130.26 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 74.120000000000005 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.63 148.59 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 75.510000000000005 110.953 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.57 149.58 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 110.906 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.515 HD21 ' N ' ' B' ' 29' ' ' THR . 0.4 OUTLIER -163.97 176.44 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 70.239999999999995 110.921 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.515 ' N ' HD21 ' B' ' 28' ' ' ASN . 1.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 61.100000000000001 111.121 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.725 0.298 . . . . 72.209999999999994 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' SER . . . . . 0.588 ' HB2' HG23 ' K' ' 129' ' ' THR . 12.8 t -146.31 154.1 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.539999999999999 110.871 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -155.56 148.88 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 63.009999999999998 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 127.7 3.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.665 -0.779 . . . . 55.020000000000003 112.418 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -122.67 125.9 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -122.4 112.16 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.109999999999999 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.9 140.27 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 70.319999999999993 111.127 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.558 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.9 OUTLIER -138.15 135.12 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.239999999999995 110.838 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.5 123.85 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 72.120000000000005 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.97 135.18 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.935 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -132.14 144.08 50.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 64.409999999999997 110.838 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.75 140.39 42.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 75.140000000000001 110.864 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -142.53 127.17 18.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 42.210000000000001 110.907 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.4 OUTLIER -122.17 130.25 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 64.040000000000006 110.919 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -132.55 122.94 25.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.831 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 71.0 m -131.9 120.49 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.120000000000005 110.886 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -116.23 133.91 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.530000000000001 110.807 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.49 123.5 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.858 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.0 133.3 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 70.319999999999993 111.178 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.76 124.15 27.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.879 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -122.39 128.8 51.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 74.319999999999993 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.24 117.42 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.6 138.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.25 111.166 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -139.99 139.77 36.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -137.7 128.94 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.591 HD22 ' O ' ' K' ' 104' ' ' GLY . 3.2 tm? -120.78 134.55 55.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 74.549999999999997 110.94 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' MET . . . . . 0.483 ' H ' HD22 ' C' ' 26' ' ' LEU . 4.8 ptp -129.01 135.08 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 110.876 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -162.09 139.97 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' THR . . . . . 0.585 HG23 ' O ' ' I' ' 101' ' ' HIS . 97.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 65.109999999999999 111.102 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.765 0.317 . . . . 75.439999999999998 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.21 153.47 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.842 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -153.96 145.67 23.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.349999999999994 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 130.62 3.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 45.229999999999997 112.493 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -119.06 123.21 43.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.450000000000003 111.094 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -123.11 113.13 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.239999999999995 110.873 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.88 138.4 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 61.32 111.138 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.57 134.57 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.841 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.39 121.32 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 75.340000000000003 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.96 132.22 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.400000000000006 110.953 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -134.18 147.89 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.400000000000006 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' LYS . . . . . 0.536 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -133.45 143.96 49.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.239999999999995 110.926 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 13' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 4.3 t80 -139.6 122.92 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' LEU . . . . . 0.536 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.4 OUTLIER -122.09 129.79 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.876 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.35 123.59 25.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.120000000000005 110.955 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -129.32 120.48 25.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.857 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.582 ' NH1' HD13 ' J' ' 114' ' ' LEU . 8.3 ptm180 -117.06 133.02 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.209999999999994 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.01 122.68 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.73 133.42 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.430000000000007 111.062 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 124.28 26.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 51.439999999999998 110.913 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -120.19 131.26 54.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.120000000000005 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -132.75 116.33 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 64.439999999999998 110.862 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -129.58 136.72 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 64.239999999999995 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' J' ' 107' ' ' THR . 2.7 tp-100 -144.02 140.92 29.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 72.400000000000006 110.85 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -139.21 129.74 25.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.319999999999993 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' LEU . . . . . 0.517 ' C ' HD13 ' D' ' 26' ' ' LEU . 2.9 tm? -120.81 132.01 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.924 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' MET . . . . . 0.51 ' N ' HD22 ' D' ' 26' ' ' LEU . 4.3 ptp -127.4 130.68 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 74.340000000000003 110.919 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -164.64 139.91 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 75.019999999999996 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' L' ' 101' ' ' HIS . 97.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 65.049999999999997 111.128 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 64.510000000000005 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 2' ' ' SER . . . . . 0.603 ' HB2' HG23 ' M' ' 129' ' ' THR . 36.4 t -141.51 149.71 41.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 45.200000000000003 110.844 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 3' ' ' GLN . . . . . 0.446 ' OE1' HD22 ' M' ' 126' ' ' LEU . 1.6 tm0? -146.76 149.08 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 71.140000000000001 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.4 128.1 3.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 60.049999999999997 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -124.68 129.75 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 63.450000000000003 111.127 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -123.43 111.34 16.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.53 137.31 53.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 72.030000000000001 111.12 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.596 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.2 t -139.08 134.74 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.903 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -137.26 133.07 34.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 72.349999999999994 110.803 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -140.13 127.91 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 63.340000000000003 110.92 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 135.99 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.299999999999997 110.866 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 12' ' ' LYS . . . . . 0.629 ' HD3' HD12 ' E' ' 14' ' ' LEU . 2.2 tmmm? -137.27 126.26 24.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 74.530000000000001 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.97 118.3 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 75.049999999999997 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 14' ' ' LEU . . . . . 0.629 HD12 ' HD3' ' E' ' 12' ' ' LYS . 0.2 OUTLIER -109.45 114.76 28.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.894 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.73 121.95 44.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 64.230000000000004 110.876 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -135.3 138.8 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 74.129999999999995 110.874 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' ARG . . . . . 0.684 ' NE ' HD11 ' N' ' 114' ' ' LEU . 0.3 OUTLIER -145.14 140.65 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 110.922 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.16 143.67 42.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.9 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.56 137.71 48.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.439999999999998 111.172 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.31 126.72 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 110.86 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -132.57 129.78 39.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 54.350000000000001 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.04 124.49 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 74.439999999999998 110.894 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 t -135.53 134.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 71.530000000000001 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.0 OUTLIER -141.16 125.0 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.030000000000001 110.896 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -121.44 131.71 54.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.319999999999993 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' LEU . . . . . 0.678 HD23 HG23 ' M' ' 105' ' ' THR . 3.1 tm? -123.29 132.56 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 73.25 110.947 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.9 ptp -127.94 134.52 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 74.299999999999997 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -162.23 140.99 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.873 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' THR . . . . . 0.51 HG23 ' O ' ' K' ' 101' ' ' HIS . 96.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 111.22 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.744 0.307 . . . . 73.140000000000001 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.66 149.55 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 73.420000000000002 110.862 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -143.97 143.86 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.893 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 130.31 3.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.746 -0.74 . . . . 63.310000000000002 112.472 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.22 127.81 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 65.140000000000001 111.084 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -122.78 112.23 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.61 135.81 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.177 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.578 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.2 t -133.6 134.77 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 62.219999999999999 110.867 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -140.77 129.72 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 64.310000000000002 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -141.5 127.61 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.99 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.76 135.75 49.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.230000000000004 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 12' ' ' LYS . . . . . 0.526 ' HD3' HD12 ' F' ' 14' ' ' LEU . 2.3 tmmm? -138.43 125.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 54.240000000000002 110.883 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.73 119.44 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 60.219999999999999 110.93 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 14' ' ' LEU . . . . . 0.526 HD12 ' HD3' ' F' ' 12' ' ' LYS . 0.2 OUTLIER -108.98 113.72 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 71.319999999999993 110.909 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.44 122.92 47.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -134.32 138.53 45.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 62.210000000000001 110.837 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.32 141.04 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 110.895 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.23 144.22 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 72.230000000000004 110.886 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 19' ' ' ALA . . . . . 0.54 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -131.31 136.42 48.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 54.43 111.119 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 128.08 30.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.901 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -130.83 131.06 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 50.020000000000003 110.802 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.36 123.55 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.92 133.69 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 74.150000000000006 111.161 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.46 121.86 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.904 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 25' ' ' TRP . . . . . 0.448 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 17.3 t-105 -122.16 129.0 51.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.946 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 26' ' ' LEU . . . . . 0.621 HD23 ' OG1' ' L' ' 105' ' ' THR . 2.8 tm? -125.76 132.12 52.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.020000000000003 110.937 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' F' ' 26' ' ' LEU . 2.9 ptp -129.51 131.5 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.891 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -160.96 140.92 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.874 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' THR . . . . . 0.549 HG23 ' O ' ' N' ' 101' ' ' HIS . 96.6 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 111.172 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.883 0.373 . . . . 73.109999999999999 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 2' ' ' SER . . . . . 0.451 ' OG ' HG23 ' O' ' 129' ' ' THR . 0.8 OUTLIER -146.57 153.26 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.895 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.94 155.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 110.95 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.63 128.02 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.804 -0.712 . . . . 64.209999999999994 112.537 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.7 133.2 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 41.32 111.184 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.83 111.39 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.88 139.8 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 70.319999999999993 111.191 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.585 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.4 OUTLIER -139.49 134.68 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 74.400000000000006 110.909 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.22 113.46 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -118.45 126.26 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.879 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.97 132.12 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 72.400000000000006 110.835 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 12' ' ' LYS . . . . . 0.63 ' CE ' HD11 ' G' ' 14' ' ' LEU . 1.8 ttpm? -136.94 128.08 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.02 127.07 35.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 14' ' ' LEU . . . . . 0.728 HD13 ' CD ' ' M' ' 117' ' ' ARG . 2.4 mp -118.93 113.69 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.6 120.67 40.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -137.53 142.4 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 65.109999999999999 110.841 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -147.76 148.85 31.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 110.925 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -138.75 143.86 39.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' O' ' 112' ' ' LYS . . . -131.97 135.32 46.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.219999999999999 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.42 129.59 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -132.09 131.74 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 110.872 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.73 128.47 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.934 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.12 122.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.150000000000006 111.149 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.84 137.76 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.219999999999999 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 25' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 5.4 p-90 -139.36 143.51 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 71.510000000000005 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 26' ' ' LEU . . . . . 0.656 HD23 ' OG1' ' O' ' 105' ' ' THR . 2.4 tm? -126.36 124.66 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -124.42 132.63 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 55.310000000000002 110.876 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.58 160.81 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.530000000000001 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 29' ' ' THR . . . . . 0.406 HG23 ' O ' ' M' ' 101' ' ' HIS . 9.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 111.119 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 71.040000000000006 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.25 152.51 39.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.540000000000006 110.842 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.95 151.9 37.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 74.109999999999999 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 128.42 2.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 64.030000000000001 112.557 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -123.56 130.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 74.120000000000005 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -131.13 112.74 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.219999999999999 110.902 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 7' ' ' THR . . . . . 0.485 HG23 ' HG3' ' P' ' 124' ' ' GLN . 0.0 OUTLIER -116.27 138.6 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 74.230000000000004 111.196 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.9 134.89 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.040000000000006 110.906 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.56 110.88 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 74.049999999999997 110.848 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -118.19 125.86 51.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.519999999999996 110.914 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.87 130.48 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 31.350000000000001 110.864 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 12' ' ' LYS . . . . . 0.637 ' CE ' HD11 ' H' ' 14' ' ' LEU . 1.8 ttpm? -138.15 129.52 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.200000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 126.15 31.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 71.430000000000007 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 14' ' ' LEU . . . . . 0.637 HD11 ' CE ' ' H' ' 12' ' ' LYS . 2.7 mp -116.03 115.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 62.140000000000001 110.959 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -114.14 121.75 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.239999999999995 110.843 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -135.84 141.53 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 61.140000000000001 110.887 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.13 148.59 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 71.150000000000006 110.897 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -138.17 143.19 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 63.009999999999998 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.2 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.230000000000004 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.39 132.56 42.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.886 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.3 132.17 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 110.851 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.09 130.33 37.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.899 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -145.34 123.53 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 65.030000000000001 111.086 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 24' ' ' GLN . . . . . 0.789 ' HB2' HG22 ' N' ' 107' ' ' THR . 1.2 tm0? -150.54 135.19 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -144.89 142.02 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 71.519999999999996 110.943 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 26' ' ' LEU . . . . . 0.619 HD23 ' OG1' ' N' ' 105' ' ' THR . 3.5 tm? -129.8 121.94 27.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.879 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.04 130.65 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.230000000000004 110.946 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -166.06 160.84 16.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 64.129999999999995 110.879 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 29' ' ' THR . . . . . 0.575 HG23 ' HA ' ' P' ' 102' ' ' SER . 9.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 65.219999999999999 111.114 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 101' ' ' HIS . . . . . 0.585 ' O ' HG23 ' C' ' 29' ' ' THR . 17.8 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 64.450000000000003 110.839 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.0 p -164.99 154.69 13.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.854 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -102.7 127.48 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 63.329999999999998 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.08 9.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 53.32 112.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 105' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -130.41 131.54 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 73.319999999999993 111.104 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -129.16 123.25 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.83 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 107' ' ' THR . . . . . 0.538 HG23 ' CD ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -117.75 126.59 52.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.430000000000007 111.146 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 5.0 p -128.58 124.26 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.239999999999995 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -148.4 143.54 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 51.210000000000001 110.824 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -150.25 140.8 22.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.540000000000006 110.913 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -123.43 146.61 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 110.821 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.98 128.3 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -127.95 133.83 49.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 42.100000000000001 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -138.92 116.97 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.869 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.83 112.16 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 65.010000000000005 110.894 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 30.1 p -124.54 123.07 39.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 64.329999999999998 110.866 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -137.8 135.56 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.902 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.35 126.98 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 65.439999999999998 111.056 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -118.84 122.63 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 64.120000000000005 110.935 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -126.97 123.52 37.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 63.219999999999999 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -146.01 146.65 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 110.841 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 123' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' SER . 23.4 m -141.29 163.09 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.5 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -133.87 135.09 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.049999999999997 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.3 131.89 40.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 126' ' ' LEU . . . . . 0.532 HD23 ' N ' ' I' ' 127' ' ' MET . 8.0 tt -129.74 135.65 48.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 73.099999999999994 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 127' ' ' MET . . . . . 0.532 ' N ' HD23 ' I' ' 126' ' ' LEU . 1.4 mmt -134.68 125.75 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 70.439999999999998 110.909 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -132.62 139.53 47.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 65.219999999999999 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 111.114 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 17.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 75.310000000000002 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.3 p -164.99 155.06 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.836 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -103.96 125.99 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.925 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 104' ' ' GLY . . . . . 0.503 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -134.03 136.45 8.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 74.239999999999995 112.526 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 129.56 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 64.310000000000002 111.187 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -130.35 120.97 25.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 63.25 110.952 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 107' ' ' THR . . . . . 0.437 HG23 ' HB2' ' D' ' 24' ' ' GLN . 0.2 OUTLIER -116.95 125.17 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.219999999999999 111.105 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -129.44 124.6 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.420000000000002 110.852 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -145.44 148.24 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.409999999999997 110.814 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -146.78 138.78 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.901 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -122.92 145.34 48.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.409999999999997 110.902 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 112' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -136.4 128.52 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.813 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -124.35 134.25 53.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -139.52 116.87 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 53.100000000000001 110.92 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.43 110.6 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.409999999999997 110.827 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 29.6 p -126.27 122.25 34.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.149999999999999 110.869 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -138.71 136.09 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.219999999999999 110.922 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.31 150.0 49.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.88 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.77 130.04 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 111.127 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -116.47 124.5 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.913 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.98 124.54 42.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 72.010000000000005 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -147.76 142.73 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.209999999999994 110.852 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.07 158.48 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 64.230000000000004 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -138.49 135.65 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.200000000000003 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.47 133.57 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.25 110.9 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 126' ' ' LEU . . . . . 0.513 HD23 ' N ' ' J' ' 127' ' ' MET . 8.1 tt -129.29 135.39 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 73.310000000000002 110.852 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 127' ' ' MET . . . . . 0.513 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.4 mmt -134.29 129.63 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 72.319999999999993 110.919 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -131.87 137.95 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 42.100000000000001 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.140000000000001 111.152 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 101' ' ' HIS . . . . . 0.51 ' O ' HG23 ' E' ' 29' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 74.540000000000006 110.819 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 64.6 p -164.98 143.68 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.150000000000006 110.862 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.85 127.89 54.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 75.209999999999994 110.915 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 104' ' ' GLY . . . . . 0.591 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -135.7 139.17 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 73.299999999999997 112.435 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 105' ' ' THR . . . . . 0.484 ' OG1' HD23 ' C' ' 26' ' ' LEU . 9.9 m -127.96 122.48 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 75.200000000000003 111.123 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -118.04 119.58 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.400000000000006 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.9 t -120.63 133.79 55.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 71.510000000000005 111.098 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.3 124.61 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 61.420000000000002 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 140.65 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 54.130000000000003 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -138.46 142.97 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.918 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.25 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.009999999999998 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 112' ' ' LYS . . . . . 0.632 ' NZ ' HD12 ' K' ' 114' ' ' LEU . 21.2 tptp -132.94 129.3 38.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.040000000000006 110.88 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.1 114.95 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.209999999999994 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 114' ' ' LEU . . . . . 0.632 HD12 ' NZ ' ' K' ' 112' ' ' LYS . 0.1 OUTLIER -119.56 110.02 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.874 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.8 109.86 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 63.530000000000001 110.83 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.02 129.58 45.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 72.150000000000006 110.846 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 117' ' ' ARG . . . . . 0.752 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.1 OUTLIER -141.72 145.11 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.109999999999999 110.84 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 147.83 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.37 129.64 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 71.239999999999995 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.33 123.11 40.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 71.030000000000001 110.902 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.95 125.17 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.879 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.38 146.07 30.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.349999999999994 110.847 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 123' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.4 m -145.84 156.96 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 44.509999999999998 111.143 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -131.31 141.22 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.129999999999995 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -135.81 119.35 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.869 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 126' ' ' LEU . . . . . 0.431 HD23 ' C ' ' K' ' 126' ' ' LEU . 7.3 tt -111.69 125.64 54.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 62.43 110.984 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -123.04 125.15 44.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.909 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.13 129.88 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.927 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 129' ' ' THR . . . . . 0.588 HG23 ' HB2' ' C' ' 2' ' ' SER . 3.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 111.19 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 101' ' ' HIS . . . . . 0.574 ' O ' HG23 ' D' ' 29' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 71.5 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.15 143.29 6.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.040000000000006 110.833 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.42 125.57 51.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 63.439999999999998 110.885 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 104' ' ' GLY . . . . . 0.47 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -138.7 136.25 7.91 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 72.549999999999997 112.533 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 105' ' ' THR . . . . . 0.621 ' OG1' HD23 ' F' ' 26' ' ' LEU . 11.5 m -129.93 120.78 25.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 75.319999999999993 111.17 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -118.05 117.41 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.530000000000001 110.842 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 107' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 24' ' ' GLN . 1.7 t -121.28 131.25 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.319999999999993 111.179 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.48 124.47 21.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 62.25 110.824 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.93 141.55 47.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.150000000000006 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -137.21 142.66 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.906 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.27 135.06 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 52.329999999999998 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 112' ' ' LYS . . . . . 0.617 ' NZ ' HD12 ' L' ' 114' ' ' LEU . 21.3 tptp -132.09 128.35 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 51.219999999999999 110.899 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.37 114.74 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 114' ' ' LEU . . . . . 0.617 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.1 OUTLIER -117.81 111.67 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 72.450000000000003 110.888 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.29 109.64 18.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 63.409999999999997 110.905 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.55 129.68 46.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.439999999999998 110.851 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.55 139.95 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.340000000000003 110.845 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 118' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.1 OUTLIER -137.42 149.82 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.229999999999997 110.887 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.67 131.0 19.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.430000000000007 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.33 123.14 42.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.430000000000007 110.949 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.82 129.9 51.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 72.510000000000005 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -146.36 145.43 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.319999999999993 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 123' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' F' ' 8' ' ' SER . 12.0 m -145.75 154.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.140000000000001 111.174 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.85 140.51 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.420000000000002 110.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.23 120.09 18.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 126' ' ' LEU . . . . . 0.422 HD23 ' C ' ' L' ' 126' ' ' LEU . 7.3 tt -113.6 126.4 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 110.94 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -121.28 128.29 52.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 75.439999999999998 110.888 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -128.07 128.92 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 75.329999999999998 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.109999999999999 111.152 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' M' M ' 101' ' ' HIS . . . . . 0.406 ' O ' HG23 ' G' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 72.109999999999999 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 59.4 p -163.33 148.39 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.230000000000004 110.909 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.19 129.44 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.409999999999997 110.872 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 104' ' ' GLY . . . . . 0.557 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -137.43 138.98 10.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.746 . . . . 75.200000000000003 112.522 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 105' ' ' THR . . . . . 0.678 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -129.11 122.76 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 71.239999999999995 111.157 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -118.37 112.74 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 107' ' ' THR . . . . . 0.482 HG22 ' HG3' ' E' ' 24' ' ' GLN . 20.4 p -115.79 119.63 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -129.77 130.87 45.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -139.25 138.0 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -136.03 146.39 47.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 72.129999999999995 110.933 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.46 141.08 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 65.409999999999997 110.848 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.4 134.98 44.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 110.861 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -129.55 117.07 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.099999999999994 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 114' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -122.3 123.84 42.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 75.109999999999999 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.69 110.87 11.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.872 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -130.26 125.25 34.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.430000000000007 110.84 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 117' ' ' ARG . . . . . 0.728 ' CD ' HD13 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -130.47 134.28 46.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.882 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 129.54 51.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 63.219999999999999 110.865 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.76 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.510000000000005 111.154 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -135.21 122.11 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.0 130.2 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.129999999999995 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -145.95 146.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.844 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 123' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.6 m -142.86 155.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.530000000000001 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.43 139.94 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.934 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -130.6 121.35 25.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.299999999999997 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 126' ' ' LEU . . . . . 0.461 HD23 ' N ' ' M' ' 127' ' ' MET . 6.5 tt -109.39 125.95 52.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.929 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 127' ' ' MET . . . . . 0.461 ' N ' HD23 ' M' ' 126' ' ' LEU . 2.5 mmt -124.64 124.85 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.120000000000005 110.877 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -130.69 134.78 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 62.130000000000003 110.917 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 129' ' ' THR . . . . . 0.603 HG23 ' HB2' ' E' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.25 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 101' ' ' HIS . . . . . 0.549 ' O ' HG23 ' F' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.755 0.312 . . . . 74.239999999999995 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 58.9 p -163.39 148.54 11.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 62.520000000000003 110.903 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 103' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.0 OUTLIER -111.94 127.16 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.219999999999999 110.871 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 104' ' ' GLY . . . . . 0.505 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.09 136.78 7.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.695 -0.764 . . . . 54.030000000000001 112.44 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 105' ' ' THR . . . . . 0.619 ' OG1' HD23 ' H' ' 26' ' ' LEU . 0.2 OUTLIER -128.59 122.07 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 73.019999999999996 111.134 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -119.15 111.86 18.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 107' ' ' THR . . . . . 0.789 HG22 ' HB2' ' H' ' 24' ' ' GLN . 19.9 p -113.49 118.95 35.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 74.340000000000003 111.13 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 15.5 p -129.29 128.0 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.25 110.824 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.81 138.78 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -134.19 146.31 50.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 50.539999999999999 110.876 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.69 141.01 29.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 74.349999999999994 110.84 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 112' ' ' LYS . . . . . 0.54 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 1.1 ttmt -134.13 138.45 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.329999999999998 110.871 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.17 118.32 25.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 114' ' ' LEU . . . . . 0.684 HD11 ' NE ' ' E' ' 17' ' ' ARG . 0.0 OUTLIER -118.94 122.24 41.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 73.319999999999993 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.18 109.08 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.549999999999997 110.917 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 7.4 p -130.55 126.52 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.86 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 129.68 44.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 64.209999999999994 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.16 128.7 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.409999999999997 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.76 132.62 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 51.119999999999997 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -131.03 123.84 29.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 110.882 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.67 129.87 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.821 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -144.64 144.69 31.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 70.099999999999994 110.965 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.21 152.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.155 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.49 138.49 39.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -130.52 120.6 24.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 62.020000000000003 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 126' ' ' LEU . . . . . 0.436 ' C ' HD23 ' N' ' 126' ' ' LEU . 6.4 tt -111.74 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 62.420000000000002 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 127' ' ' MET . . . . . 0.436 ' N ' HD23 ' N' ' 126' ' ' LEU . 2.5 mmt -125.39 127.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 110.88 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -130.61 134.67 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.120000000000005 111.161 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 m170 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 65.400000000000006 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -76.17 143.19 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.420000000000002 110.855 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 147.27 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 62.350000000000001 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 104' ' ' GLY . . . . . 0.552 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.45 136.53 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 62.299999999999997 112.51 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 105' ' ' THR . . . . . 0.656 ' OG1' HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -127.38 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 74.430000000000007 111.105 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 106' ' ' PHE . . . . . 0.483 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 33.5 t80 -129.23 128.9 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 62.409999999999997 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -137.82 125.04 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.319999999999993 111.16 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 11.9 p -142.64 145.72 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 73.109999999999999 110.889 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.78 157.98 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.843 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -147.44 144.24 28.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 70.439999999999998 110.915 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.43 141.76 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 65.310000000000002 110.892 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 112' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' G' ' 19' ' ' ALA . 0.2 OUTLIER -135.03 128.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 71.400000000000006 110.916 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.68 124.49 44.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 75.329999999999998 110.894 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -125.3 120.28 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 43.509999999999998 110.882 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -129.47 112.27 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.858 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 122.12 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.140000000000001 110.919 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 130.8 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.835 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.95 119.36 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 70.120000000000005 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.24 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.119 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.03 122.41 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.510000000000005 110.878 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.02 126.68 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.853 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -137.05 144.46 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.310000000000002 110.841 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 123' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' G' ' 8' ' ' SER . 10.6 m -142.81 157.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 111.187 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -134.79 140.8 46.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.319999999999993 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.13 123.3 24.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.936 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' P' ' 126' ' ' LEU . 6.4 tt -115.54 130.4 56.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 127' ' ' MET . . . . . 0.545 ' N ' HD23 ' O' ' 126' ' ' LEU . 3.1 mmt -129.63 124.98 35.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.94 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.72 131.9 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 64.510000000000005 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 129' ' ' THR . . . . . 0.451 HG23 ' OG ' ' G' ' 2' ' ' SER . 3.6 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 47.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.822 0.344 . . . . 73.349999999999994 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 102' ' ' SER . . . . . 0.575 ' HA ' HG23 ' H' ' 29' ' ' THR . 5.4 m -75.3 142.56 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 64.099999999999994 110.803 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 146.6 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.109999999999999 110.899 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.37 138.7 6.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 44.140000000000001 112.524 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.04 135.15 49.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 64.219999999999999 111.164 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.58 129.22 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 64.450000000000003 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -136.7 125.63 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.040000000000006 111.207 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 12.2 p -144.26 144.66 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 44.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.34 158.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -147.69 143.47 27.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.11 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 54.109999999999999 110.847 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.93 128.24 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 73.409999999999997 110.896 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -121.74 125.49 46.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.540000000000006 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -123.02 120.95 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -131.86 109.88 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.340000000000003 110.86 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.28 123.35 37.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 73.010000000000005 110.826 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.95 130.94 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 110.902 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.79 120.01 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 63.210000000000001 110.813 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.63 123.48 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.49 124.85 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 74.329999999999998 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.88 124.09 28.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 53.310000000000002 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -135.59 143.95 45.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 53.210000000000001 110.864 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.97 155.24 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 54.549999999999997 111.112 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 124' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' H' ' 7' ' ' THR . 40.7 tt0 -135.83 139.95 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.209999999999994 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -131.61 124.24 29.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 74.530000000000001 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' O' ' 126' ' ' LEU . 6.2 tt -118.08 128.22 54.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 63.439999999999998 110.946 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' P' ' 126' ' ' LEU . 3.1 mmt -128.66 128.74 44.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.881 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.75 132.46 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 70.319999999999993 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 71.540000000000006 111.159 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.811 0.338 . . . . 63.310000000000002 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -153.68 163.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.613 HE22 HD11 ' J' ' 126' ' ' LEU . 1.2 pp0? -167.02 168.55 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.909 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.66 129.21 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 64.519999999999996 112.459 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -121.93 139.14 54.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 65.120000000000005 111.142 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.21 121.3 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.019999999999996 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 m -133.49 124.87 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 111.142 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.4 p -127.94 134.76 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 54.539999999999999 110.878 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.23 129.97 34.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 74.040000000000006 110.838 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -143.87 121.71 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.409999999999997 110.915 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 130.51 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 65.329999999999998 110.873 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HG3' ' HB2' ' I' ' 119' ' ' ALA . 0.0 OUTLIER -137.51 136.03 37.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.400000000000006 110.916 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.88 143.5 50.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.099999999999994 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' I' ' 117' ' ' ARG . 2.9 tp -134.09 115.49 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 74.25 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -118.35 125.09 49.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.530000000000001 110.849 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -132.48 143.35 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.838 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -143.19 135.15 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 72.349999999999994 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -129.89 128.5 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 65.109999999999999 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.86 142.0 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 35.140000000000001 111.064 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.48 124.06 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.12 135.74 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.64 127.78 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.019999999999996 110.923 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -135.92 116.94 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 74.230000000000004 111.133 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -145.07 139.11 27.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.120000000000005 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -149.45 141.68 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.510000000000005 110.922 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.787 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.1 pp -136.59 137.06 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 63.020000000000003 110.875 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.44 136.74 50.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.864 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.25 176.88 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.219999999999999 110.909 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.239999999999995 111.168 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.813 0.339 . . . . 62.350000000000001 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -153.46 164.6 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.889 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -166.86 167.18 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.140000000000001 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 130.35 2.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.703 -0.761 . . . . 64.319999999999993 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.715 ' CG2' HD12 ' J' ' 126' ' ' LEU . 2.0 p -122.61 138.7 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 54.210000000000001 111.147 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 126.32 20.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 74.209999999999994 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' HB3' ' J' ' 124' ' ' GLN . 11.3 m -128.81 127.42 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 60.420000000000002 111.118 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -126.19 135.54 51.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 72.099999999999994 110.81 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 131.24 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 64.319999999999993 110.859 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -139.95 125.19 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 75.430000000000007 110.887 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 134.58 38.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 74.519999999999996 110.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 139.7 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.48 140.46 51.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.932 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' J' ' 117' ' ' ARG . 4.2 tp -136.15 113.55 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.439999999999998 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -122.0 123.15 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.349999999999994 110.83 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -131.19 143.79 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 51.109999999999999 110.853 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -142.55 131.68 23.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.329999999999998 110.925 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -132.39 129.72 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.87 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -127.32 140.38 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.150000000000006 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.94 123.93 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 63.229999999999997 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -119.17 135.91 54.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.845 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.78 125.71 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -138.59 120.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 55.240000000000002 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -139.11 142.09 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.915 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -144.47 138.59 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.58 137.84 42.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.510000000000005 110.948 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.81 136.41 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.875 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.541 HD21 ' N ' ' B' ' 29' ' ' THR . 0.3 OUTLIER -156.84 177.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 70.239999999999995 110.865 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.541 ' N ' HD21 ' B' ' 28' ' ' ASN . 8.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.100000000000001 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 72.209999999999994 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.74 160.98 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 51.539999999999999 110.832 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -160.55 136.63 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 63.009999999999998 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.17 128.54 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 55.020000000000003 112.5 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.98 HG22 HD12 ' I' ' 126' ' ' LEU . 16.6 p -127.44 116.65 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 71.150000000000006 111.136 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -123.57 143.56 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 75.109999999999999 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.8 151.07 35.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 70.319999999999993 111.144 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.65 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -145.48 134.44 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.239999999999995 110.87 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 122.57 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.872 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -132.35 122.63 25.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.917 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 138.38 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 64.409999999999997 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 137.81 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 75.140000000000001 110.939 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -131.78 135.07 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 42.210000000000001 110.957 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -127.65 123.17 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 64.040000000000006 110.932 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -128.79 123.55 33.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 110.848 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.15 121.3 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.869 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -121.79 136.56 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -134.48 129.35 35.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.129999999999995 110.886 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ALA . . . . . 0.422 ' HB1' ' OH ' ' I' ' 110' ' ' TYR . . . -129.42 142.22 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 70.319999999999993 111.092 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -143.78 135.87 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.947 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.77 135.42 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.906 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.25 132.02 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.877 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' I' ' 106' ' ' PHE . 92.2 t -133.72 124.39 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 61.25 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -135.6 133.05 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 73.25 110.953 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.07 130.15 38.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.4 OUTLIER -129.12 124.02 33.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.549999999999997 110.954 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.86 135.29 54.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.906 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -161.45 175.7 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.906 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 65.109999999999999 111.091 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 75.439999999999998 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.69 160.4 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.430000000000007 110.866 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.79 133.62 8.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.45 130.18 5.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 45.229999999999997 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' THR . . . . . 0.421 HG21 HG21 ' C' ' 5' ' ' THR . 18.2 p -123.98 115.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.450000000000003 111.144 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -122.92 146.26 47.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 64.239999999999995 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.44 150.23 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 61.32 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.577 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.9 t -141.74 134.86 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 74.450000000000003 110.829 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.17 121.27 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.340000000000003 110.885 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.81 122.99 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.925 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 138.44 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 64.400000000000006 110.824 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.56 137.78 32.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 74.239999999999995 110.865 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -131.39 134.11 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 74.310000000000002 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.0 122.54 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 73.319999999999993 110.932 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -130.13 124.03 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.85 119.85 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.894 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -122.66 135.03 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -136.92 131.57 33.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.736 ' HB2' ' HE3' ' L' ' 112' ' ' LYS . . . -128.85 141.35 51.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.430000000000007 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -144.38 136.46 26.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 51.439999999999998 110.958 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -136.41 136.36 39.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.120000000000005 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -125.4 130.78 52.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.439999999999998 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' VAL . . . . . 0.411 HG13 ' HE1' ' L' ' 106' ' ' PHE . 47.7 t -136.83 126.36 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.239999999999995 111.195 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -134.73 132.18 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.400000000000006 110.904 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.06 129.33 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.949 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.62 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.4 OUTLIER -131.01 121.97 25.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.945 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.52 129.52 52.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.844 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -163.39 177.22 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.019999999999996 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 65.049999999999997 111.153 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 64.510000000000005 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.46 157.06 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 45.200000000000003 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.554 HE22 HD11 ' N' ' 126' ' ' LEU . 1.1 tm0? -155.55 129.82 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 71.140000000000001 110.922 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.18 132.22 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 60.049999999999997 112.508 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -128.43 118.17 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 63.450000000000003 111.138 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -125.87 121.11 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 75.239999999999995 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' THR . . . . . 0.44 HG22 ' HB3' ' M' ' 124' ' ' GLN . 11.0 t -132.1 145.87 51.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.030000000000001 111.138 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.589 ' HA ' HG12 ' M' ' 123' ' ' VAL . 3.0 t -137.94 134.91 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.420000000000002 110.845 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.02 118.53 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 72.349999999999994 110.818 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -129.48 120.34 25.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.952 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 130.3 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 153.49 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.530000000000001 110.9 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -144.77 139.99 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.049999999999997 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -131.93 131.74 42.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.219999999999999 110.911 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.3 126.3 33.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 64.230000000000004 110.875 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -134.18 120.99 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.563 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -122.3 136.39 54.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 74.129999999999995 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -132.87 129.59 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' K' ' 112' ' ' LYS . . . -126.48 140.21 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 111.096 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -142.66 136.03 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.409999999999997 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -137.13 136.46 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.350000000000001 110.909 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.8 130.22 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.31 123.38 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.530000000000001 111.166 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.3 123.94 35.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.030000000000001 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.1 131.47 56.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 70.319999999999993 110.955 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.708 ' HG ' HG23 ' M' ' 105' ' ' THR . 0.5 OUTLIER -132.38 128.8 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.897 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.63 133.37 48.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.894 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -161.78 176.99 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.340000000000003 110.872 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.17 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.843 0.354 . . . . 73.140000000000001 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.23 157.14 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -154.04 129.75 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.310000000000002 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.86 133.1 6.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 63.310000000000002 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -125.96 118.55 25.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 65.140000000000001 111.162 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -124.86 123.65 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 73.129999999999995 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 7' ' ' THR . . . . . 0.744 HG22 ' HG3' ' L' ' 124' ' ' GLN . 12.6 t -127.63 144.64 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 73.129999999999995 111.14 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -135.1 135.14 40.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.219999999999999 110.851 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.56 116.93 11.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 64.310000000000002 110.842 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -129.23 120.86 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.906 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.09 133.2 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.230000000000004 110.901 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.44 ' CD ' HD11 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -133.31 153.38 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 54.240000000000002 110.92 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -144.57 137.23 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 60.219999999999999 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' F' ' 12' ' ' LYS . 1.2 mp -132.0 130.15 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 110.941 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -134.83 126.01 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.866 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 49.7 p -133.27 119.55 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 62.210000000000001 110.858 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' ARG . . . . . 0.415 ' HB2' ' HZ1' ' N' ' 112' ' ' LYS . 7.0 ptm180 -124.45 134.36 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -134.61 131.71 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.230000000000004 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' ALA . . . . . 0.436 ' HB2' ' HE2' ' N' ' 112' ' ' LYS . . . -124.71 139.89 53.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 54.43 111.156 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -141.52 138.11 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.439999999999998 110.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -136.62 137.49 40.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 50.020000000000003 110.934 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.17 129.44 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.409999999999997 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.9 121.85 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 111.131 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.87 120.39 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.8 129.3 54.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 72.140000000000001 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.598 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.5 OUTLIER -134.41 129.82 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 50.020000000000003 110.938 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.24 128.69 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -164.5 177.35 8.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.150000000000006 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 73.510000000000005 111.106 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 73.109999999999999 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.09 154.35 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.896 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' GLN . . . . . 0.569 HE22 HD11 ' P' ' 126' ' ' LEU . 1.1 tm0? -152.24 129.87 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.140000000000001 110.87 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -130.5 132.6 6.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 64.209999999999994 112.455 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -126.92 120.9 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 41.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -125.96 112.77 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.329999999999998 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -125.47 147.44 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 70.319999999999993 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.602 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -141.63 135.27 29.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.815 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.45 122.33 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 73.510000000000005 110.87 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.26 129.33 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.922 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 30.1 t -140.04 128.57 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.400000000000006 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -132.39 144.58 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.430000000000007 110.887 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -140.18 136.9 33.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.310000000000002 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' O' ' 117' ' ' ARG . 1.6 mp -130.51 124.37 31.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -124.92 123.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.885 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.18 120.14 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.109999999999999 110.893 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.2 ptm180 -124.33 134.98 53.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.030000000000001 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -129.03 130.01 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 73.239999999999995 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.18 131.59 54.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 111.112 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.93 124.23 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.099999999999994 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.94 127.46 34.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.030000000000001 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.09 134.15 55.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.340000000000003 110.919 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.95 135.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.150000000000006 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -144.74 122.91 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 52.219999999999999 110.883 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.52 129.64 51.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.510000000000005 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.685 HD23 ' O ' ' O' ' 104' ' ' GLY . 0.3 OUTLIER -131.71 142.58 49.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.924 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.423 ' HE1' ' HA3' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -144.29 130.34 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 55.310000000000002 110.855 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -164.99 144.17 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 64.530000000000001 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 111.143 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 71.040000000000006 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.01 154.1 36.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.540000000000006 110.881 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -150.67 129.57 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 74.109999999999999 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.6 133.27 6.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 64.030000000000001 112.503 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 5' ' ' THR . . . . . 0.436 HG22 HD12 ' P' ' 126' ' ' LEU . 12.7 p -125.1 120.3 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 74.120000000000005 111.157 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -126.06 116.16 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.219999999999999 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 147.85 45.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 111.149 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -137.33 135.06 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 72.040000000000006 110.863 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.63 120.23 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.049999999999997 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -132.1 132.44 43.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.519999999999996 110.911 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -137.36 130.11 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 31.350000000000001 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -129.63 145.79 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.200000000000003 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -139.74 134.82 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 71.430000000000007 110.879 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.619 HD13 ' CD ' ' P' ' 117' ' ' ARG . 1.6 mp -130.85 122.99 28.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.140000000000001 110.915 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -128.78 122.78 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 74.239999999999995 110.859 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.19 119.77 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 61.140000000000001 110.873 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.6 132.84 52.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.150000000000006 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -129.53 130.06 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.009999999999998 110.879 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' P' ' 112' ' ' LYS . . . -122.81 131.52 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 111.121 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.6 125.37 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 62.420000000000002 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.79 128.06 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.400000000000006 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.32 134.59 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.430000000000007 110.921 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -141.37 133.26 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 65.030000000000001 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' N' ' 107' ' ' THR . 2.8 tp-100 -146.88 120.78 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.519999999999996 110.929 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -124.15 130.68 52.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.3 OUTLIER -132.95 143.74 49.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 74.439999999999998 110.894 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 27' ' ' MET . . . . . 0.428 ' HE1' ' HA3' ' N' ' 104' ' ' GLY . 0.0 OUTLIER -143.7 130.18 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.862 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -165.29 144.32 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.841 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' THR . . . . . 0.599 HG23 ' HA ' ' P' ' 102' ' ' SER . 3.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.219999999999999 111.121 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 64.450000000000003 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.68 160.33 26.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.010000000000005 110.9 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -108.22 126.96 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 63.329999999999998 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.11 138.93 10.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 53.32 112.465 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.787 HG23 ' HB3' ' A' ' 26' ' ' LEU . 3.8 m -134.72 126.47 29.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.343 . . . . 73.319999999999993 111.118 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 106' ' ' PHE . . . . . 0.561 ' HE1' HG13 ' C' ' 23' ' ' VAL . 21.7 t80 -126.24 130.9 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.409999999999997 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 107' ' ' THR . . . . . 0.407 HG23 ' O ' ' I' ' 107' ' ' THR . 4.3 t -137.09 117.65 13.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 73.430000000000007 111.16 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -135.52 143.39 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.239999999999995 110.842 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -141.33 143.81 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 51.210000000000001 110.854 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 110' ' ' TYR . . . . . 0.422 ' OH ' ' HB1' ' C' ' 19' ' ' ALA . 5.4 t80 -130.3 128.57 41.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 110.928 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -122.41 134.53 54.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.219999999999999 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -133.41 130.62 38.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -132.19 119.82 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 42.100000000000001 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' J' ' 114' ' ' LEU . 0.1 OUTLIER -120.36 136.32 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.409999999999997 110.878 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -141.88 111.78 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 65.010000000000005 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.46 34.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 64.329999999999998 110.84 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 117' ' ' ARG . . . . . 0.541 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.15 141.07 46.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.120000000000005 110.881 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.21 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 63.039999999999999 110.875 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 119' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . . . -138.64 123.06 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.439999999999998 111.142 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.34 126.92 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 64.120000000000005 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.7 120.53 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.219999999999999 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -140.22 141.48 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 64.120000000000005 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 8' ' ' SER . 4.6 m -143.73 160.68 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.47 144.36 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.049999999999997 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 31.0 p-90 -142.49 139.33 31.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.942 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.98 HD12 HG22 ' C' ' 5' ' ' THR . 2.1 tt -132.87 139.9 47.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.1 125.46 37.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 70.439999999999998 110.881 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -119.35 136.72 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.219999999999999 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 64.439999999999998 111.171 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 75.310000000000002 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 102' ' ' SER . . . . . 0.434 ' HA ' HG23 ' B' ' 29' ' ' THR . 3.1 p -122.32 161.24 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 53.43 110.822 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -107.55 125.42 51.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 74.230000000000004 110.897 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 104' ' ' GLY . . . . . 0.62 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.27 137.13 9.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 74.239999999999995 112.512 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 105' ' ' THR . . . . . 0.405 HG23 ' HG ' ' D' ' 26' ' ' LEU . 3.6 m -131.29 126.94 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 64.310000000000002 111.126 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -127.12 131.21 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 63.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 4.4 t -135.4 120.18 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 73.219999999999999 111.147 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -136.33 134.69 38.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.27 145.29 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 71.409999999999997 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.62 127.5 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.140000000000001 110.929 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -121.7 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.829 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.53 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 10.8 tppt? -134.25 130.22 36.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 74.430000000000007 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -130.8 120.21 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.099999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -120.02 136.4 54.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 53.100000000000001 110.895 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -139.72 109.66 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.409999999999997 110.908 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.95 121.85 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 53.149999999999999 110.827 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 117' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -134.93 140.8 46.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 110.897 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 145.31 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.7 123.61 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.030000000000001 111.082 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.41 128.98 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.450000000000003 110.906 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.1 123.84 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -136.81 138.33 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.209999999999994 110.875 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' D' ' 8' ' ' SER . 6.3 m -144.07 157.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.230000000000004 111.138 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 124' ' ' GLN . . . . . 0.813 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -154.85 144.74 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.200000000000003 110.939 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -140.62 141.2 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' B' ' 5' ' ' THR . 1.1 tt -133.12 138.86 46.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.24 126.83 39.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 72.319999999999993 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 135.27 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 42.100000000000001 110.917 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 111.169 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 74.540000000000006 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.4 156.1 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.150000000000006 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 129.2 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.209999999999994 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.659 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -133.18 138.13 9.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.299999999999997 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.802 HG23 ' HG ' ' C' ' 26' ' ' LEU . 2.0 m -132.48 123.4 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 75.200000000000003 111.188 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -124.9 125.12 43.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.400000000000006 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.94 116.3 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 71.510000000000005 111.116 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 6.6 p -130.55 133.83 46.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 61.420000000000002 110.876 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.28 135.03 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.130000000000003 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.5 131.62 52.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.51 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 63.009999999999998 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 112' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' E' ' 19' ' ' ALA . 1.1 tppm? -136.29 134.1 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.040000000000006 110.879 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -136.59 123.45 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -125.83 122.52 36.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.420000000000002 110.895 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.7 111.86 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.530000000000001 110.836 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 26.2 p -126.58 128.22 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.150000000000006 110.858 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.548 HH21 ' HB2' ' K' ' 119' ' ' ALA . 4.9 ptm180 -140.8 142.37 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.109999999999999 110.859 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.64 144.59 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.827 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 119' ' ' ALA . . . . . 0.548 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -140.69 123.1 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 111.1 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.52 128.3 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.030000000000001 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -135.4 122.02 20.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -136.98 141.4 42.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 110.89 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' C' ' 8' ' ' SER . 11.3 m -140.94 162.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 44.509999999999998 111.154 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -140.67 151.13 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.129999999999995 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -150.58 120.18 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' L' ' 126' ' ' LEU . 0.9 OUTLIER -124.53 128.83 49.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.95 124.86 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 73.439999999999998 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.52 135.31 53.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.040000000000006 110.881 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 111.152 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 71.5 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.67 156.26 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.040000000000006 110.887 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.35 125.26 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 63.439999999999998 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.598 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.75 138.2 9.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 72.549999999999997 112.45 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.37 124.05 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 75.319999999999993 111.133 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 106' ' ' PHE . . . . . 0.411 ' HE1' HG13 ' D' ' 23' ' ' VAL . 9.6 t80 -125.54 125.88 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 75.530000000000001 110.87 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.01 116.25 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 111.088 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 6.5 p -129.23 128.58 43.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 62.25 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.1 135.79 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.150000000000006 110.871 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -125.58 129.47 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 110.921 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.13 134.43 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 52.329999999999998 110.878 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.736 ' HE3' ' HB2' ' D' ' 19' ' ' ALA . 1.1 tppm? -138.92 135.03 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 51.219999999999999 110.884 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -134.95 124.16 24.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 74.340000000000003 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -125.68 122.64 36.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 72.450000000000003 110.934 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.43 110.7 13.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.409999999999997 110.835 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 26.5 p -126.74 129.24 48.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.505 HH21 ' HB2' ' L' ' 119' ' ' ALA . 5.1 ptm180 -140.54 141.88 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.340000000000003 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.35 145.62 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 63.229999999999997 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 119' ' ' ALA . . . . . 0.505 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -139.57 124.86 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 111.068 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -129.68 128.18 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -135.95 124.59 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.510000000000005 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -136.3 139.89 42.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.894 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.2 m -141.14 158.91 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.140000000000001 111.148 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 124' ' ' GLN . . . . . 0.744 ' HG3' HG22 ' F' ' 7' ' ' THR . 1.2 pp0? -144.31 153.46 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -150.02 122.42 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.329999999999998 110.939 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -125.74 130.87 52.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 71.450000000000003 110.905 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 129.15 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.439999999999998 110.893 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.89 133.24 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.872 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 54.109999999999999 111.119 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.354 . . . . 72.109999999999999 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.56 163.2 30.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 73.230000000000004 110.852 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 130.21 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.22 138.38 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 75.200000000000003 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.708 HG23 ' HG ' ' E' ' 26' ' ' LEU . 4.3 m -132.27 135.27 46.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 71.239999999999995 111.162 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.97 115.8 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 72.400000000000006 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.53 121.0 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.439999999999998 111.149 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.22 134.13 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 110.823 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.72 135.53 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 74.340000000000003 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 134.27 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.129999999999995 110.887 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 65.8 m -137.53 134.5 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 65.409999999999997 110.867 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 112' ' ' LYS . . . . . 0.451 ' HZ1' ' HB2' ' G' ' 17' ' ' ARG . 0.2 OUTLIER -138.31 131.39 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.400000000000006 110.899 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -132.82 117.0 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.099999999999994 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.495 HD13 HD13 ' N' ' 114' ' ' LEU . 0.1 OUTLIER -121.55 118.82 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.109999999999999 110.927 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.57 111.51 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.129999999999995 110.829 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -130.71 127.41 38.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 117' ' ' ARG . . . . . 0.629 ' HD2' HD23 ' E' ' 14' ' ' LEU . 1.1 ptm180 -144.43 145.24 31.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.400000000000006 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.46 154.52 49.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.219999999999999 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 119' ' ' ALA . . . . . 0.454 ' HB2' ' NH2' ' M' ' 117' ' ' ARG . . . -142.29 129.66 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.510000000000005 111.128 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.82 122.28 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.918 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -130.39 121.25 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 72.129999999999995 110.865 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -138.06 141.22 40.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.869 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.5 m -143.07 154.29 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 111.104 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 124' ' ' GLN . . . . . 0.44 ' HB3' HG22 ' E' ' 7' ' ' THR . 6.3 tt0 -130.39 140.2 50.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.299999999999997 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -138.99 114.46 9.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.923 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' N' ' 126' ' ' LEU . 1.8 tt -120.75 131.42 54.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.099999999999994 110.943 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.19 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 70.120000000000005 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.24 132.83 53.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.130000000000003 110.837 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.168 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 74.239999999999995 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.29 163.08 30.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 62.520000000000003 110.828 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.68 126.39 52.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 70.219999999999999 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.474 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.09 137.74 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 54.030000000000001 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 4.2 m -128.56 134.64 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -134.26 114.3 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 107' ' ' THR . . . . . 0.403 HG23 ' NE2' ' H' ' 24' ' ' GLN . 0.2 OUTLIER -111.41 122.2 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.135 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.31 131.33 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 63.25 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.83 138.49 37.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.911 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.57 133.37 48.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 50.539999999999999 110.931 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 65.5 m -135.05 134.67 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -141.37 130.62 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.329999999999998 110.89 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -131.5 116.81 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.230000000000004 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.563 HD11 ' HD3' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -121.81 117.86 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 73.319999999999993 110.933 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -127.57 110.14 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.549999999999997 110.868 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -129.55 130.36 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.329999999999998 110.841 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 117' ' ' ARG . . . . . 0.53 ' NH2' ' HB2' ' N' ' 119' ' ' ALA . 1.3 ptm180 -145.39 144.61 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.209999999999994 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 155.15 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 70.409999999999997 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 119' ' ' ALA . . . . . 0.53 ' HB2' ' NH2' ' N' ' 117' ' ' ARG . . . -142.6 130.02 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.119999999999997 111.059 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -127.72 122.27 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.329999999999998 110.935 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -130.9 122.42 26.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -136.33 142.56 43.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 70.099999999999994 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 10.2 m -142.85 150.69 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 111.152 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -133.77 140.52 47.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.349999999999994 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.41 116.21 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 62.020000000000003 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' M' ' 126' ' ' LEU . 1.6 tt -121.19 132.11 54.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 62.420000000000002 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.14 125.65 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 110.86 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -122.99 132.46 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.420000000000002 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 71.120000000000005 111.123 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 31.8 m170 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.806 0.336 . . . . 65.400000000000006 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -111.28 178.56 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.53 139.37 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 62.350000000000001 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.685 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -143.54 138.7 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 62.299999999999997 112.482 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -128.6 140.23 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 74.430000000000007 111.151 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -135.19 113.21 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.409999999999997 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -110.96 133.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.319999999999993 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -143.35 135.53 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.848 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -142.72 136.28 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.209999999999994 110.842 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -128.29 127.85 43.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 70.439999999999998 110.935 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.18 134.95 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 65.310000000000002 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.31 136.36 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 71.400000000000006 110.927 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -130.26 118.77 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.444 HD22 HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -120.48 116.06 24.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 43.509999999999998 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.07 112.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.87 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.16 127.93 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.140000000000001 110.861 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' G' ' 14' ' ' LEU . 4.6 ptm180 -141.06 152.81 45.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.430000000000007 110.888 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.52 145.97 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 70.120000000000005 110.847 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.57 123.83 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.349999999999994 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.33 122.11 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 64.510000000000005 110.904 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -130.75 123.44 29.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 75.439999999999998 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -141.5 142.3 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.310000000000002 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.1 m -142.67 158.72 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 75.420000000000002 111.141 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.93 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.932 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.75 114.69 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.450000000000003 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.432 HD23 ' C ' ' O' ' 126' ' ' LEU . 3.8 tt -120.43 133.41 55.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 72.230000000000004 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.401 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.2 mmt -128.49 124.29 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.439999999999998 110.853 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.85 133.23 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 111.133 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 73.349999999999994 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 102' ' ' SER . . . . . 0.599 ' HA ' HG23 ' H' ' 29' ' ' THR . 83.7 p -111.68 179.94 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.099999999999994 110.883 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.72 139.86 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.109999999999999 110.94 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.76 139.53 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 44.140000000000001 112.503 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.8 t -128.41 139.19 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 64.219999999999999 111.119 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -136.75 111.04 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -114.23 131.97 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.040000000000006 111.173 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -144.21 135.07 25.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 44.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -141.53 135.83 30.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.540000000000006 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -127.91 127.62 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.310000000000002 110.917 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.54 134.47 39.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 54.109999999999999 110.861 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -138.84 136.11 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 73.409999999999997 110.922 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.14 118.35 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 64.540000000000006 110.898 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -118.43 117.56 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 74.439999999999998 110.954 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.87 111.29 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 65.340000000000003 110.901 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.78 130.51 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.010000000000005 110.871 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 117' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' H' ' 14' ' ' LEU . 5.3 ptm180 -140.37 153.44 46.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 110.844 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.77 147.63 35.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 63.210000000000001 110.857 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 119' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' P' ' 117' ' ' ARG . . . -137.29 123.51 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 62.420000000000002 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.84 122.35 37.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -133.9 121.72 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 53.310000000000002 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -141.08 142.31 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 53.210000000000001 110.856 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.12 156.14 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 54.549999999999997 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.69 134.28 37.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.209999999999994 110.897 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.96 116.15 14.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.530000000000001 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.569 HD11 HE22 ' G' ' 3' ' ' GLN . 3.7 tt -120.61 133.63 55.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.439999999999998 110.909 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.3 mmt -128.4 125.49 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.866 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.21 134.17 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 70.319999999999993 110.884 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 111.157 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.855 0.359 . . . . 63.310000000000002 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -143.72 153.47 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 54.25 110.839 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -167.31 167.55 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 110.886 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.52 135.09 4.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 64.519999999999996 112.457 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -124.22 125.94 45.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 65.120000000000005 111.091 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -125.27 112.1 16.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 65.019999999999996 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -126.3 148.51 49.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 74.430000000000007 111.102 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.672 ' HA ' HG12 ' I' ' 123' ' ' VAL . 9.4 t -150.85 134.57 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 54.539999999999999 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.01 130.12 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.040000000000006 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -138.89 128.64 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.94 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -138.68 140.86 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 65.329999999999998 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.97 136.87 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.400000000000006 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -136.43 132.03 34.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.099999999999994 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.7 124.52 43.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.927 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.74 125.38 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.530000000000001 110.893 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -136.32 126.11 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.219999999999999 110.903 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.8 ptm180 -129.89 138.05 50.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.349999999999994 110.926 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -128.45 122.7 31.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 65.109999999999999 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 124.55 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 35.140000000000001 111.102 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -131.01 124.34 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.319999999999993 110.828 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -122.98 135.81 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.340000000000003 110.858 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.65 135.11 52.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -143.9 118.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.230000000000004 111.082 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.16 135.79 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 110.887 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -139.99 138.21 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.510000000000005 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' I' ' 105' ' ' THR . 3.5 tp -134.71 129.46 34.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 63.020000000000003 110.922 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.542 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -128.3 154.04 46.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.209999999999994 110.895 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -164.57 172.2 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.219999999999999 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 74.239999999999995 111.153 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.767 0.318 . . . . 62.350000000000001 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -143.27 154.86 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 110.804 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.98 163.13 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 75.140000000000001 110.911 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.61 136.38 4.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 64.319999999999993 112.562 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -124.81 122.52 37.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 54.210000000000001 111.189 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.64 116.33 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.209999999999994 110.935 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.555 HG23 ' HB2' ' J' ' 124' ' ' GLN . 5.2 m -118.77 150.41 39.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.420000000000002 111.171 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -143.09 135.82 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 72.099999999999994 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.57 129.79 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 64.319999999999993 110.875 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -137.01 130.66 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.430000000000007 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.7 t -136.29 141.17 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.519999999999996 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.12 139.82 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 74.129999999999995 110.889 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -133.5 131.8 40.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 71.540000000000006 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.403 ' O ' HD23 ' B' ' 14' ' ' LEU . 5.4 tt -122.94 121.74 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 73.439999999999998 110.896 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.61 125.44 38.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 73.349999999999994 110.833 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -136.05 126.44 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 51.109999999999999 110.81 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -129.63 134.97 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 72.329999999999998 110.814 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -132.28 123.57 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.896 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.5 125.15 48.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 72.150000000000006 111.146 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -132.12 124.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.229999999999997 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -121.94 135.33 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -125.96 132.86 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.510000000000005 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.13 122.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 55.240000000000002 111.134 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.86 138.09 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.329999999999998 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -137.34 136.5 38.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.878 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.51 HD12 ' N ' ' B' ' 27' ' ' MET . 5.1 tp -135.38 128.97 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 75.510000000000005 110.93 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' MET . . . . . 0.51 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -126.26 151.01 48.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.882 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -164.79 171.66 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 70.239999999999995 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 61.100000000000001 111.161 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.826 0.346 . . . . 72.209999999999994 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.6 143.79 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 51.539999999999999 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLN . . . . . 0.521 ' NE2' HD22 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -158.7 135.9 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 63.009999999999998 110.908 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 127.89 4.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 55.020000000000003 112.48 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.26 124.75 43.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.150000000000006 111.141 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.47 112.44 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 110.865 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.3 144.43 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.319999999999993 111.132 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.673 ' HA ' HG12 ' K' ' 123' ' ' VAL . 10.0 t -142.97 134.76 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 64.239999999999995 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.16 121.5 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.847 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -130.94 123.89 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.928 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -134.59 143.78 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 64.409999999999997 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.5 OUTLIER -150.6 142.84 24.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.872 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.18 129.78 24.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 42.210000000000001 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' C' ' 12' ' ' LYS . 1.9 mp -119.32 125.01 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 64.040000000000006 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -126.18 123.6 38.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.299999999999997 110.838 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -134.63 129.02 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 74.120000000000005 110.813 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.466 ' HE ' HD11 ' L' ' 114' ' ' LEU . 0.2 OUTLIER -135.48 139.97 44.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.919 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -133.16 137.05 46.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.853 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.91 136.36 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.319999999999993 111.14 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.87 133.88 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -132.95 129.02 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.73 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.93 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.56 135.37 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.99 121.63 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.77 129.14 55.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 74.239999999999995 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.677 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -135.61 126.15 26.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.549999999999997 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' MET . . . . . 0.521 ' N ' HD22 ' C' ' 26' ' ' LEU . 0.0 OUTLIER -141.49 129.74 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.905 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -160.28 147.17 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.81 HG23 ' HA ' ' K' ' 101' ' ' HIS . 1.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 65.109999999999999 111.096 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.353 . . . . 75.439999999999998 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' SER . . . . . 0.618 ' HB3' HG23 ' L' ' 129' ' ' THR . 1.4 t -132.72 143.68 49.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 110.826 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLN . . . . . 0.419 ' HG3' HD22 ' L' ' 128' ' ' ASN . 0.9 OUTLIER -154.14 131.66 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 110.94 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 128.64 4.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 45.229999999999997 112.519 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -123.95 121.27 34.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 72.450000000000003 111.098 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -130.47 113.18 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.239999999999995 110.831 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.78 145.11 43.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 61.32 111.108 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.423 ' HA ' HG12 ' J' ' 123' ' ' VAL . 10.0 t -137.79 135.1 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 74.450000000000003 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.71 120.66 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.958 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -129.67 124.07 32.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 70.400000000000006 110.835 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -132.94 142.08 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 64.400000000000006 110.829 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' LYS . . . . . 0.567 ' NZ ' HD11 ' D' ' 14' ' ' LEU . 0.5 OUTLIER -149.7 143.45 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.933 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -139.64 129.67 25.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.973 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.719 HD13 ' CD ' ' L' ' 117' ' ' ARG . 1.9 mp -119.73 122.05 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 110.928 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.21 123.1 33.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.809 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -134.66 129.46 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 110.877 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.11 136.53 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 72.209999999999994 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -135.12 137.6 42.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.409999999999997 110.82 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.498 ' HB2' ' HZ1' ' L' ' 112' ' ' LYS . . . -128.49 134.23 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.430000000000007 111.133 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.36 135.06 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 51.439999999999998 110.913 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -134.08 130.26 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.91 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 124.67 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 64.439999999999998 110.901 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' VAL . . . . . 0.538 HG13 ' HE1' ' L' ' 106' ' ' PHE . 42.7 t -135.6 135.29 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 64.239999999999995 111.126 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 119.72 11.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' L' ' 106' ' ' PHE . 0.0 OUTLIER -120.47 127.15 51.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.26 -0.427 . . . . 70.319999999999993 110.89 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.536 ' C ' HD13 ' D' ' 26' ' ' LEU . 2.9 tm? -136.68 132.15 34.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.239999999999995 110.955 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' MET . . . . . 0.508 ' N ' HD22 ' D' ' 26' ' ' LEU . 0.0 OUTLIER -140.41 129.44 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.859 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -162.01 147.94 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.019999999999996 110.92 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 65.049999999999997 111.235 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.812 0.339 . . . . 64.510000000000005 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -137.78 147.3 44.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 45.200000000000003 110.856 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.437 HE22 HD21 ' N' ' 126' ' ' LEU . 1.7 pt20 -167.94 134.92 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 71.140000000000001 110.943 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.99 126.16 5.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.766 -0.731 . . . . 60.049999999999997 112.481 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -128.97 120.04 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 63.450000000000003 111.116 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -125.54 111.93 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 110.849 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -120.89 141.45 50.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.030000000000001 111.06 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.62 ' HA ' HG12 ' M' ' 123' ' ' VAL . 5.8 t -134.96 135.07 41.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 72.420000000000002 110.855 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.01 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.826 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -132.56 119.13 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 63.340000000000003 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -129.44 138.51 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 75.299999999999997 110.805 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -144.04 142.56 30.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 74.530000000000001 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -138.82 131.24 28.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.049999999999997 110.871 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.3 120.95 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.854 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.68 122.17 39.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 110.879 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.84 130.39 37.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.879 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.552 ' NH1' HD13 ' M' ' 114' ' ' LEU . 8.3 ptm180 -132.69 137.32 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -133.55 136.77 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.804 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.35 134.92 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.439999999999998 111.066 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -132.96 130.7 39.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.85 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 54.350000000000001 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -131.56 131.31 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' K' ' 106' ' ' PHE . 20.8 t -137.63 125.11 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 71.530000000000001 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.52 124.69 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.030000000000001 110.95 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.04 131.26 56.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 70.319999999999993 110.888 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.06 122.78 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.25 110.909 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 130.9 51.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.85 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -159.48 128.95 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 73.340000000000003 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' THR . . . . . 0.632 HG21 ' CD2' ' M' ' 101' ' ' HIS . 97.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.129999999999995 111.124 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 73.140000000000001 110.831 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -137.39 149.48 46.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.91 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -159.15 129.71 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.310000000000002 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.67 128.57 5.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.78 -0.724 . . . . 63.310000000000002 112.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 5' ' ' THR . . . . . 0.943 HG22 HD23 ' N' ' 126' ' ' LEU . 10.6 p -123.68 118.51 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 65.140000000000001 111.192 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -127.18 112.54 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 73.129999999999995 110.879 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -119.04 137.9 53.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 111.141 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -133.35 135.56 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 62.219999999999999 110.857 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -140.37 121.56 14.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 64.310000000000002 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -129.94 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.96 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -127.56 136.67 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 64.230000000000004 110.857 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 12.6 ptmt -143.41 143.24 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 54.240000000000002 110.952 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.79 125.43 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 60.219999999999999 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 122.7 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 71.319999999999993 110.949 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -124.53 122.51 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.899 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.68 128.78 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 62.210000000000001 110.875 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' ARG . . . . . 0.481 ' NH1' HD13 ' L' ' 114' ' ' LEU . 7.4 ptm180 -132.21 136.1 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 110.837 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.77 136.96 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.230000000000004 110.852 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.16 134.55 47.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.43 111.06 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -133.02 132.31 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 74.439999999999998 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -134.87 134.65 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 50.020000000000003 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.7 130.57 44.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.918 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.83 123.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.150000000000006 111.12 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 121.11 18.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.230000000000004 110.942 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.43 130.4 55.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.531 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -132.67 124.24 27.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 50.020000000000003 110.851 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.47 128.81 48.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 110.856 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.63 130.33 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.150000000000006 110.935 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' THR . . . . . 0.617 ' HG1' ' N ' ' L' ' 101' ' ' HIS . 96.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.510000000000005 111.113 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 73.109999999999999 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.92 145.06 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 74.129999999999995 110.833 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -165.01 139.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.140000000000001 110.927 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 4' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -132.88 130.79 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 64.209999999999994 112.462 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -124.38 122.63 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 41.32 111.205 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -127.73 113.31 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -125.4 146.42 49.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.319999999999993 111.094 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.608 ' HA ' HG12 ' O' ' 123' ' ' VAL . 13.5 t -141.19 135.14 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.400000000000006 110.918 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.02 126.5 25.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 73.510000000000005 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -137.26 119.89 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.906 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -132.71 130.86 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 72.400000000000006 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.33 145.73 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 71.430000000000007 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -139.96 137.39 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 73.310000000000002 110.897 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 128.68 44.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 72.299999999999997 110.947 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -129.34 123.31 31.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.855 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.32 123.11 27.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.109999999999999 110.859 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -124.37 136.85 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.97 43.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 72.219999999999999 111.079 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.33 126.97 44.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 110.935 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -132.25 120.24 21.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 71.030000000000001 110.828 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -118.89 126.88 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.866 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.12 123.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 72.150000000000006 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.13 124.55 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.219999999999999 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 131.2 56.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.478 ' C ' HD13 ' G' ' 26' ' ' LEU . 2.6 tm? -131.84 117.4 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.882 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 19.1 mtm -116.01 130.51 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 55.310000000000002 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -164.56 132.62 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 64.530000000000001 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' THR . . . . . 0.445 HG23 ' HB3' ' M' ' 102' ' ' SER . 5.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 74.010000000000005 111.112 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.799 0.333 . . . . 71.040000000000006 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.67 147.02 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.540000000000006 110.827 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.47 134.63 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.109999999999999 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 133.41 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 64.030000000000001 112.545 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 5' ' ' THR . . . . . 0.532 HG22 HD12 ' P' ' 126' ' ' LEU . 12.5 p -120.79 121.73 38.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 74.120000000000005 111.106 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -125.93 115.73 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.219999999999999 110.861 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -121.02 146.85 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.230000000000004 111.118 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -136.86 135.31 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.21 124.39 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.049999999999997 110.833 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -135.21 118.85 17.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 72.519999999999996 110.875 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -129.68 132.14 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 31.350000000000001 110.804 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.0 145.62 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.200000000000003 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.93 132.7 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.430000000000007 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -128.76 127.54 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 62.140000000000001 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -131.92 122.85 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.846 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 123.39 34.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.140000000000001 110.866 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -125.4 133.13 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.150000000000006 110.806 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.59 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.009999999999998 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 128.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.230000000000004 111.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -123.88 128.07 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 62.420000000000002 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -132.85 119.53 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.400000000000006 110.822 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -117.65 127.98 54.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.01 122.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.030000000000001 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.75 121.05 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.519999999999996 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.15 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.455 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.2 tm? -131.99 115.73 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 74.439999999999998 110.895 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 27' ' ' MET . . . . . 0.441 ' N ' HD22 ' H' ' 26' ' ' LEU . 17.1 mtm -116.32 128.55 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 72.230000000000004 110.878 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -165.05 132.81 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.129999999999995 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' THR . . . . . 0.621 HG23 ' HA ' ' P' ' 102' ' ' SER . 5.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 65.219999999999999 111.176 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.753 0.311 . . . . 64.450000000000003 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 32.4 p -164.66 149.67 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.010000000000005 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.44 127.12 55.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.329999999999998 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 104' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -138.96 137.98 9.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.76 . . . . 53.32 112.507 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 26' ' ' LEU . 10.7 t -130.87 136.04 48.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 73.319999999999993 111.198 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -134.39 125.91 28.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 74.409999999999997 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 3.1 t -129.96 121.8 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.430000000000007 111.129 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 95.0 p -136.93 145.17 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -147.14 143.73 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 51.210000000000001 110.839 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -132.78 129.14 38.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.540000000000006 110.973 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 5.2 p -125.92 134.73 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.219999999999999 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 112' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' I' ' 114' ' ' LEU . 1.0 OUTLIER -136.24 128.33 29.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 63.409999999999997 110.877 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.19 122.63 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 42.100000000000001 110.908 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.697 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -119.86 124.53 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.409999999999997 110.923 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.5 112.79 12.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.947 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.63 129.34 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.329999999999998 110.802 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 135.71 40.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 74.120000000000005 110.898 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.05 139.99 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 63.039999999999999 110.847 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 123.66 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 65.439999999999998 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -130.97 128.34 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 64.120000000000005 110.926 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -138.15 127.97 25.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -144.41 145.42 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 64.120000000000005 110.909 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 8' ' ' SER . 25.2 m -139.1 160.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.107 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.13 136.43 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.049999999999997 110.92 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -135.28 115.43 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 71.340000000000003 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' J' ' 126' ' ' LEU . 6.6 tt -120.44 132.55 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.099999999999994 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -132.02 125.54 31.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 70.439999999999998 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.02 139.06 49.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 65.219999999999999 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.167 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 75.310000000000002 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 31.7 p -164.86 149.53 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.844 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.08 126.28 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 74.230000000000004 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.44 136.53 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 74.239999999999995 112.445 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 6.2 t -130.67 135.5 47.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 64.310000000000002 111.095 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -134.05 126.12 29.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 63.25 110.764 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.8 t -128.31 123.13 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 73.219999999999999 111.13 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 91.8 p -136.95 139.92 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 70.420000000000002 110.853 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -150.08 145.32 26.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 71.409999999999997 110.892 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.91 127.8 39.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.140000000000001 110.951 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 5.3 p -125.2 134.1 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 64.409999999999997 110.858 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.719 ' HE3' HD12 ' J' ' 114' ' ' LEU . 0.8 OUTLIER -137.49 128.68 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 110.897 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.08 120.67 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.099999999999994 110.953 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.719 HD12 ' HE3' ' J' ' 112' ' ' LYS . 0.2 OUTLIER -121.91 123.28 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 53.100000000000001 110.945 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.42 112.71 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.31 128.53 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 53.149999999999999 110.809 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 135.4 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.219999999999999 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.23 139.78 53.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.836 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.14 124.06 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 73.030000000000001 111.039 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.72 127.7 37.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.450000000000003 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -138.22 130.8 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.010000000000005 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -142.78 141.15 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' D' ' 8' ' ' SER . 26.2 m -139.75 155.9 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 64.230000000000004 111.066 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 124' ' ' GLN . . . . . 0.555 ' HB2' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -136.86 139.03 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 71.200000000000003 110.976 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -131.32 115.8 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 70.25 110.907 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' I' ' 126' ' ' LEU . 7.5 tt -119.1 132.87 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 73.310000000000002 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -130.18 130.17 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.319999999999993 110.846 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.32 137.07 50.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 42.100000000000001 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.140000000000001 111.126 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 101' ' ' HIS . . . . . 0.81 ' HA ' HG23 ' C' ' 29' ' ' THR . 71.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 74.540000000000006 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 13.7 t -122.44 143.89 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.150000000000006 110.813 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.79 130.51 54.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 75.209999999999994 110.939 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.495 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -134.89 136.63 8.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 73.299999999999997 112.488 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.677 ' HB ' HD23 ' C' ' 26' ' ' LEU . 5.9 t -139.62 141.44 37.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 75.200000000000003 111.12 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 106' ' ' PHE . . . . . 0.498 ' HE1' HG13 ' E' ' 23' ' ' VAL . 4.6 t80 -140.99 125.94 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 73.400000000000006 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 16.1 p -121.4 131.84 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 71.510000000000005 111.136 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 130.82 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 61.420000000000002 110.882 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -135.94 139.41 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 54.130000000000003 110.828 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -135.29 141.57 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 73.409999999999997 110.964 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.14 134.64 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.009999999999998 110.807 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.92 129.08 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 73.040000000000006 110.885 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.48 120.22 29.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.209999999999994 110.886 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.01 121.55 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 74.420000000000002 110.889 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 110.89 10.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.530000000000001 110.913 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -131.85 124.98 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.150000000000006 110.847 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.504 HH21 ' HB2' ' K' ' 119' ' ' ALA . 5.1 ptm180 -134.97 134.54 40.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.917 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.6 143.14 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.839 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 119' ' ' ALA . . . . . 0.504 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -141.97 123.45 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 71.239999999999995 111.136 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -132.91 129.74 38.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -137.54 122.76 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.120000000000005 110.814 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.85 142.62 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.349999999999994 110.903 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -140.34 153.26 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 44.509999999999998 111.103 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -127.44 135.08 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 65.129999999999995 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -131.22 109.79 10.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' L' ' 126' ' ' LEU . 8.8 tt -113.75 125.81 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 62.43 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -125.17 123.6 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 73.439999999999998 110.863 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.11 136.65 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 72.040000000000006 110.92 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.019999999999996 111.122 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 101' ' ' HIS . . . . . 0.617 ' N ' ' HG1' ' F' ' 29' ' ' THR . 71.4 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.759 0.314 . . . . 71.5 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 13.8 t -122.19 144.18 49.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.040000000000006 110.892 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.0 125.87 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 63.439999999999998 110.878 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.531 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.36 135.86 7.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 72.549999999999997 112.486 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.47 HG23 ' HB3' ' D' ' 26' ' ' LEU . 5.0 t -138.25 139.76 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 75.319999999999993 111.116 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 106' ' ' PHE . . . . . 0.538 ' HE1' HG13 ' D' ' 23' ' ' VAL . 2.1 t80 -142.74 126.01 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.530000000000001 110.862 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 13.7 p -122.15 132.88 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 71.319999999999993 111.106 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.47 125.82 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 62.25 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -138.91 142.99 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.150000000000006 110.905 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -133.42 141.98 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 73.430000000000007 110.964 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.05 135.42 41.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 52.329999999999998 110.85 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.498 ' HZ1' ' HB2' ' D' ' 19' ' ' ALA . 0.3 OUTLIER -130.39 129.51 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 51.219999999999999 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -125.01 120.26 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.931 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.481 HD13 ' NH1' ' F' ' 17' ' ' ARG . 0.1 OUTLIER -124.82 120.89 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 72.450000000000003 110.889 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.98 110.6 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -130.49 125.56 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 75.439999999999998 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.719 ' CD ' HD13 ' D' ' 14' ' ' LEU . 5.4 ptm180 -135.03 135.24 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.340000000000003 110.807 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.4 143.05 49.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.229999999999997 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 119' ' ' ALA . . . . . 0.42 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -141.0 125.25 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 73.430000000000007 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -134.18 128.37 33.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.430000000000007 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -138.23 126.49 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.510000000000005 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.92 140.16 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.319999999999993 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.21 150.09 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.48 136.57 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.420000000000002 110.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -127.56 110.11 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' K' ' 126' ' ' LEU . 9.7 tt -114.55 125.17 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 71.450000000000003 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 26.1 mmt -125.82 127.85 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.905 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 128' ' ' ASN . . . . . 0.419 HD22 ' HG3' ' D' ' 3' ' ' GLN . 0.5 OUTLIER -126.07 133.91 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 110.882 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 129' ' ' THR . . . . . 0.618 HG23 ' HB3' ' D' ' 2' ' ' SER . 14.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 54.109999999999999 111.19 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 101' ' ' HIS . . . . . 0.632 ' CD2' HG21 ' E' ' 29' ' ' THR . 25.9 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 72.109999999999999 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 102' ' ' SER . . . . . 0.445 ' HB3' HG23 ' G' ' 29' ' ' THR . 80.1 p -133.8 163.8 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.952 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.15 127.35 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.15 138.99 10.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 75.200000000000003 112.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 17.1 m -136.11 130.09 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 71.239999999999995 111.169 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -128.49 117.76 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.858 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.95 119.24 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 111.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 132.51 43.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.904 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -136.73 142.71 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -138.17 137.47 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.129999999999995 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.13 138.11 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.409999999999997 110.873 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 133.14 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.400000000000006 110.953 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -132.92 121.79 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 110.956 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.552 HD13 ' NH1' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -126.52 122.53 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 75.109999999999999 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.22 111.61 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.129999999999995 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 121.57 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 73.430000000000007 110.909 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 139.96 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.89 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -127.47 136.86 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.219999999999999 110.886 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.32 122.92 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 70.510000000000005 111.114 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -132.71 126.88 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -134.98 120.57 19.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.943 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -135.99 142.74 44.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 110.89 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.62 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.1 m -141.58 149.2 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -124.36 131.26 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -128.64 109.21 11.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.937 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.745 HD13 ' O ' ' M' ' 126' ' ' LEU . 0.3 OUTLIER -116.39 115.13 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.965 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 127' ' ' MET . . . . . 0.745 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.9 OUTLIER -116.84 122.24 43.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.120000000000005 110.83 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -123.76 137.5 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 62.130000000000003 110.837 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.1 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -134.17 163.64 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.520000000000003 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.99 125.63 49.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.219999999999999 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.81 138.28 10.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.798 -0.715 . . . . 54.030000000000001 112.467 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 16.7 m -134.3 128.97 34.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 73.019999999999996 111.113 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -129.79 116.82 19.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.329999999999998 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 119.3 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 111.162 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.02 130.24 43.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.827 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.79 142.91 40.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -139.58 135.57 33.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 50.539999999999999 110.926 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.24 138.28 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.349999999999994 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 134.24 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 63.329999999999998 110.921 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -130.66 125.01 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 122.33 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.831 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.88 114.54 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.549999999999997 110.863 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.32 121.61 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 110.85 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.05 140.65 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -128.38 141.09 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.409999999999997 110.843 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -140.09 122.32 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 51.119999999999997 111.064 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.01 125.93 32.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.329999999999998 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -138.8 118.95 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 72.409999999999997 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -136.25 142.36 43.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.099999999999994 110.836 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.3 145.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 75.120000000000005 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -127.54 131.17 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 64.349999999999994 110.928 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -126.84 108.53 11.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.020000000000003 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.943 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.36 117.36 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.420000000000002 110.923 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 127' ' ' MET . . . . . 0.627 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.9 OUTLIER -118.14 128.36 54.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.519999999999996 110.868 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.12 134.66 55.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 63.420000000000002 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.120000000000005 111.135 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 65.400000000000006 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.73 178.27 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 110.845 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.7 134.16 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 62.350000000000001 110.898 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.49 139.32 10.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 62.299999999999997 112.475 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.419 HG23 HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -134.17 124.7 26.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 74.430000000000007 111.093 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -125.48 120.3 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 62.409999999999997 110.878 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 116.19 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 75.319999999999993 111.072 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 124.22 36.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.109999999999999 110.855 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.55 127.68 41.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 73.209999999999994 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -126.81 127.4 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 70.439999999999998 110.912 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.37 134.5 45.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 65.310000000000002 110.83 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -131.02 128.89 41.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 71.400000000000006 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.24 116.58 20.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.99 124.29 44.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 43.509999999999998 110.951 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -130.74 109.95 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -127.08 124.56 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.140000000000001 110.866 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' O' ' 119' ' ' ALA . 2.5 ptm180 -137.7 145.99 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.73 146.23 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 70.120000000000005 110.832 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 119' ' ' ALA . . . . . 0.464 ' HB2' ' NH2' ' O' ' 117' ' ' ARG . . . -138.78 123.28 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 111.147 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 122.33 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 64.510000000000005 110.871 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -131.55 118.96 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 110.897 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -136.68 142.62 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 71.310000000000002 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' G' ' 8' ' ' SER . 6.2 m -142.01 154.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.420000000000002 111.134 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.42 134.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 110.44 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.450000000000003 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' P' ' 126' ' ' LEU . 1.6 tt -117.02 129.64 56.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 72.230000000000004 110.92 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.0 mmt -125.0 124.13 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.439999999999998 110.86 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.82 137.38 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 64.510000000000005 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 111.162 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 73.349999999999994 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 102' ' ' SER . . . . . 0.621 ' HA ' HG23 ' H' ' 29' ' ' THR . 91.0 p -118.45 178.77 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.099999999999994 110.855 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.25 133.45 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.109999999999999 110.944 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.4 139.13 10.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.781 -0.724 . . . . 44.140000000000001 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 126.69 37.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 64.219999999999999 111.128 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -126.42 118.73 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.450000000000003 110.818 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.86 116.14 25.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.040000000000006 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.21 125.64 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 44.0 110.843 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.48 127.65 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.540000000000006 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.81 127.78 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 110.897 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.37 134.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 54.109999999999999 110.826 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -131.89 128.57 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.409999999999997 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -130.69 115.0 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.248 -0.433 . . . . 64.540000000000006 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.77 125.5 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 74.439999999999998 110.953 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.09 109.58 10.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 65.340000000000003 110.838 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -123.44 128.38 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 110.8 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 117' ' ' ARG . . . . . 0.451 ' NH2' ' HB2' ' P' ' 119' ' ' ALA . 2.7 ptm180 -137.52 146.97 44.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 71.209999999999994 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 147.76 45.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 63.210000000000001 110.847 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 119' ' ' ALA . . . . . 0.451 ' HB2' ' NH2' ' P' ' 117' ' ' ARG . . . -139.61 123.35 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 111.121 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.12 122.2 36.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.866 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -134.39 118.31 17.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 53.310000000000002 110.968 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -137.31 142.28 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 53.210000000000001 110.951 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.26 152.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.549999999999997 111.108 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -132.79 133.91 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.42 112.5 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 74.530000000000001 110.926 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' O' ' 126' ' ' LEU . 1.3 tt -117.6 130.72 56.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.439999999999998 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -124.72 125.64 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.889 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.69 138.12 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 70.319999999999993 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 111.123 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.752 0.311 . . . . 63.310000000000002 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.06 150.66 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 54.25 110.88 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.77 ' NE2' HD11 ' I' ' 126' ' ' LEU . 0.0 OUTLIER -169.01 135.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.965 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.53 126.27 5.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 64.519999999999996 112.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -130.47 119.23 22.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 65.120000000000005 111.106 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -123.14 112.37 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 65.019999999999996 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 142.81 46.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.430000000000007 111.188 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.6 t -134.7 134.75 41.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 54.539999999999999 110.876 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -135.34 124.01 23.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.040000000000006 110.814 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -133.41 128.17 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.409999999999997 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t -137.75 131.08 30.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 65.329999999999998 110.845 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -140.07 132.9 29.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.400000000000006 110.944 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -133.35 139.38 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.3 OUTLIER -129.85 132.21 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.972 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -135.3 122.55 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.530000000000001 110.823 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -129.86 127.62 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.219999999999999 110.927 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' CZ ' HD11 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -133.17 149.29 52.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 72.349999999999994 110.853 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -147.89 137.19 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 65.109999999999999 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.15 142.96 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 35.140000000000001 111.145 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.04 127.1 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.915 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -122.44 113.35 19.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.340000000000003 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -116.08 122.08 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 72.019999999999996 110.943 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.4 t -136.19 117.8 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.230000000000004 111.175 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -129.56 132.84 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -131.37 131.76 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.510000000000005 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' I' ' 104' ' ' GLY . 17.0 tp -127.9 137.15 52.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 63.020000000000003 110.9 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 3.2 ptp -133.05 130.5 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.209999999999994 110.863 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -148.54 166.09 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.219999999999999 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.519 ' HG1' ' N ' ' I' ' 101' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.239999999999995 111.079 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.791 0.329 . . . . 62.350000000000001 110.835 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -147.81 153.13 38.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 64.230000000000004 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.28 131.18 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 75.140000000000001 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 130.55 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 64.319999999999993 112.509 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.992 HG22 HD23 ' J' ' 126' ' ' LEU . 13.2 p -125.22 117.36 23.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 54.210000000000001 111.129 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -126.05 114.22 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.209999999999994 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 140.75 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 60.420000000000002 111.096 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -133.61 134.93 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.099999999999994 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -139.37 123.52 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 64.319999999999993 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.83 129.96 41.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.430000000000007 110.955 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 44.3 t -135.77 132.26 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.519999999999996 110.817 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -138.39 135.11 34.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 74.129999999999995 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -131.03 137.16 49.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.402 . . . . 71.540000000000006 110.936 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.84 131.69 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 73.439999999999998 110.92 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -134.64 122.66 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.349999999999994 110.833 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -128.83 127.67 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 51.109999999999999 110.848 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 147.08 52.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 72.329999999999998 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -151.13 137.12 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' J' ' 112' ' ' LYS . . . -127.02 141.59 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.150000000000006 111.131 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 128.05 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 63.229999999999997 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.67 115.56 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.803 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.68 121.07 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.510000000000005 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 63.3 t -137.12 117.97 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 55.240000000000002 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -128.62 133.98 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.329999999999998 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -130.09 130.7 45.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.120000000000005 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 27' ' ' MET . 17.1 tp -129.21 136.09 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 75.510000000000005 110.935 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' MET . . . . . 0.462 ' N ' HD12 ' B' ' 26' ' ' LEU . 3.2 ptp -135.5 130.6 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.209999999999994 110.876 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -147.7 165.93 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.239999999999995 110.851 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 61.100000000000001 111.143 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.82 0.343 . . . . 72.209999999999994 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.05 144.46 49.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.539999999999999 110.826 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLN . . . . . 0.707 ' OE1' HG23 ' C' ' 5' ' ' THR . 0.3 OUTLIER -161.4 135.09 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 63.009999999999998 110.87 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.59 127.79 4.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 55.020000000000003 112.45 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.707 HG23 ' OE1' ' C' ' 3' ' ' GLN . 10.0 p -123.3 126.01 46.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 71.150000000000006 111.133 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.41 117.52 19.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 75.109999999999999 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 148.25 51.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.319999999999993 111.094 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.631 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.8 t -143.42 135.41 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.889 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.33 124.14 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.120000000000005 110.806 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -136.63 125.34 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 110.942 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -130.08 135.81 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.409999999999997 110.868 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.95 129.91 38.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 75.140000000000001 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -129.04 125.32 37.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.210000000000001 110.99 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -123.21 120.85 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 64.040000000000006 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -126.11 123.03 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 72.299999999999997 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -127.84 121.53 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.120000000000005 110.875 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.491 ' NH1' HD21 ' L' ' 114' ' ' LEU . 2.7 ptm180 -124.16 135.45 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.530000000000001 110.869 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 138.38 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.129999999999995 110.911 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ALA . . . . . 0.58 ' HB2' ' HZ1' ' I' ' 112' ' ' LYS . . . -130.96 142.09 50.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 70.319999999999993 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -141.88 134.79 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.97 134.86 40.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.319999999999993 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -132.28 127.24 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 110.91 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.54 118.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 61.25 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -129.13 123.81 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -118.47 131.57 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -123.65 134.05 53.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.549999999999997 110.944 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -131.18 131.7 44.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.310000000000002 110.87 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.08 131.41 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 110.857 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.627 HG23 ' O ' ' I' ' 101' ' ' HIS . 91.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 65.109999999999999 111.164 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.767 0.318 . . . . 75.439999999999998 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.78 145.38 48.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.872 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLN . . . . . 0.417 ' OE1' HG23 ' D' ' 5' ' ' THR . 0.4 OUTLIER -156.86 130.74 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.349999999999994 110.951 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.07 4.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 45.229999999999997 112.47 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' THR . . . . . 0.417 HG23 ' OE1' ' D' ' 3' ' ' GLN . 13.7 p -121.57 124.14 43.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 72.450000000000003 111.17 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.9 120.82 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 110.862 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' THR . . . . . 0.553 HG23 ' HB2' ' L' ' 124' ' ' GLN . 0.2 OUTLIER -123.37 147.51 46.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.15 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.573 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.7 t -138.3 134.76 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.450000000000003 110.795 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.28 122.02 13.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.340000000000003 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -135.51 124.41 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.888 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 37.1 t -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 64.400000000000006 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.08 131.23 42.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -126.15 121.01 31.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 74.310000000000002 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.812 HD12 ' HD3' ' L' ' 117' ' ' ARG . 5.3 mt -122.75 120.28 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.905 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.81 122.88 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 71.120000000000005 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -126.16 121.07 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.832 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -125.52 134.73 51.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 72.209999999999994 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 139.27 45.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.438 . . . . 74.409999999999997 110.855 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.592 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -129.87 142.11 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 111.142 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.3 135.62 32.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 51.439999999999998 110.884 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.38 135.9 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.120000000000005 110.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -130.54 126.88 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 64.439999999999998 110.805 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -139.4 117.9 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.239999999999995 111.171 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -131.02 120.1 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.400000000000006 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' D' ' 27' ' ' MET . 21.4 t-105 -119.88 129.14 54.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 70.319999999999993 110.878 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.582 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.5 OUTLIER -125.87 135.23 51.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.965 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 27' ' ' MET . . . . . 0.411 ' HB3' ' CZ2' ' D' ' 25' ' ' TRP . 4.4 ptp -133.04 129.24 37.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.340000000000003 110.882 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.19 131.23 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 75.019999999999996 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' THR . . . . . 0.665 HG23 ' O ' ' L' ' 101' ' ' HIS . 91.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 65.049999999999997 111.172 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 64.510000000000005 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -146.59 156.81 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 45.200000000000003 110.914 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.15 167.02 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.140000000000001 110.877 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.23 127.87 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 60.049999999999997 112.534 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 29.8 p -125.62 118.82 26.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 63.450000000000003 111.159 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -125.46 112.3 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 75.239999999999995 110.903 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.49 146.91 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.030000000000001 111.14 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.618 ' HA ' HG12 ' M' ' 123' ' ' VAL . 4.7 t -140.87 135.1 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.420000000000002 110.834 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.03 120.54 18.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 72.349999999999994 110.797 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -129.87 121.36 26.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 63.340000000000003 110.937 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -131.8 140.11 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 75.299999999999997 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.68 140.82 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.530000000000001 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -132.48 136.64 46.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.049999999999997 110.898 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.89 117.96 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 75.219999999999999 110.964 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -118.31 122.4 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.230000000000004 110.845 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 10.3 m -132.75 123.52 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.823 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' N' ' 114' ' ' LEU . 7.1 ptm180 -129.31 143.28 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.855 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 136.12 40.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' ALA . . . . . 0.455 ' HB2' HH22 ' E' ' 17' ' ' ARG . . . -124.61 135.49 53.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.81 124.6 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.409999999999997 110.921 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.45 118.11 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 54.350000000000001 110.87 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.69 124.8 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.439999999999998 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 t -137.05 119.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.530000000000001 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' M' ' 107' ' ' THR . 1.1 tm0? -153.02 136.77 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.030000000000001 110.956 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.0 p-90 -140.32 142.98 35.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 70.319999999999993 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.711 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -122.41 129.58 52.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.956 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.461 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.4 ptt? -123.15 131.95 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.299999999999997 110.884 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.65 147.48 8.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 73.340000000000003 110.84 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.13 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 73.140000000000001 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -146.49 157.94 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 110.855 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.27 161.63 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.310000000000002 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 128.49 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 63.310000000000002 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' THR . . . . . 0.452 HG22 ' HG ' ' N' ' 126' ' ' LEU . 29.9 p -122.4 118.5 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 65.140000000000001 111.137 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.94 114.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.129999999999995 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.87 146.09 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 73.129999999999995 111.133 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.621 ' HA ' HG12 ' L' ' 123' ' ' VAL . 4.6 t -138.37 135.51 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.219999999999999 110.884 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.55 118.6 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.310000000000002 110.882 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.14 120.38 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 75.129999999999995 110.961 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 46.9 t -130.39 138.72 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 64.230000000000004 110.839 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 0.0 OUTLIER -145.08 140.95 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 54.240000000000002 110.918 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -132.29 134.08 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 60.219999999999999 110.878 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 115.87 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 71.319999999999993 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.76 122.44 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 10.4 m -132.27 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 62.210000000000001 110.805 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.27 141.73 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 74.420000000000002 110.896 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.43 136.34 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 110.831 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.47 135.55 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 54.43 111.08 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.21 125.83 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.89 119.82 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 50.020000000000003 110.823 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.46 124.54 52.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.409999999999997 110.926 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.73 121.39 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.150000000000006 111.153 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' GLN . . . . . 0.408 ' HB2' HG23 ' L' ' 107' ' ' THR . 1.5 tm0? -152.34 133.88 14.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.908 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -137.83 139.82 40.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.678 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.2 tm? -122.12 128.12 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 50.020000000000003 110.913 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -123.04 129.51 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.881 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -165.74 147.56 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.150000000000006 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 111.065 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 73.109999999999999 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' SER . . . . . 0.527 ' CB ' HG23 ' O' ' 129' ' ' THR . 1.4 p -143.24 149.03 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.129999999999995 110.895 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 3' ' ' GLN . . . . . 0.608 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -152.22 140.82 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.140000000000001 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 4' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -133.45 129.45 5.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 64.209999999999994 112.4 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -122.09 121.65 37.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.801 0.334 . . . . 41.32 111.215 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -126.24 113.25 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.863 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.77 145.81 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 70.319999999999993 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.615 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.9 t -139.45 135.64 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.400000000000006 110.821 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.77 118.23 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.510000000000005 110.859 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -131.49 123.8 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.439999999999998 110.952 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 150.21 51.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -155.24 145.95 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 71.430000000000007 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' TYR . . . . . 0.42 ' HB3' ' HD3' ' O' ' 118' ' ' ARG . 46.5 t80 -144.55 141.12 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.417 ' N ' HD12 ' G' ' 14' ' ' LEU . 3.1 mp -127.07 128.1 45.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 72.299999999999997 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -125.39 122.92 38.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 24.0 p -134.5 138.09 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 65.109999999999999 110.816 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -141.51 134.44 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 73.030000000000001 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 126.64 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.239999999999995 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.92 141.3 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.219999999999999 111.067 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -140.69 123.86 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -128.19 136.44 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.030000000000001 110.88 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.92 136.44 48.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.340000000000003 110.88 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -146.23 117.71 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.150000000000006 111.16 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.13 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.219999999999999 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 25' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 4.1 p-90 -141.26 143.96 34.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 71.510000000000005 110.94 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.641 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.0 tm? -121.02 128.52 52.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 74.219999999999999 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -121.11 130.16 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 55.310000000000002 110.896 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.47 177.08 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 64.530000000000001 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.010000000000005 111.157 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 71.040000000000006 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.03 148.5 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 73.540000000000006 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 135.19 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 74.109999999999999 110.967 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 128.55 4.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 64.030000000000001 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.1 p -120.56 120.05 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 74.120000000000005 111.115 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -124.95 114.89 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.219999999999999 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 7' ' ' THR . . . . . 0.492 HG23 ' CB ' ' P' ' 124' ' ' GLN . 0.2 OUTLIER -125.19 145.48 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.230000000000004 111.187 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -136.04 135.11 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 72.040000000000006 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.43 115.22 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 74.049999999999997 110.864 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.49 124.57 32.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.519999999999996 110.906 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -131.59 148.78 52.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 31.350000000000001 110.797 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 12' ' ' LYS . . . . . 0.575 ' CE ' HD11 ' H' ' 14' ' ' LEU . 14.8 ptmt -151.26 147.07 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 72.200000000000003 110.888 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -143.63 136.29 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 71.430000000000007 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.622 HD13 HH11 ' P' ' 117' ' ' ARG . 4.6 mp -127.74 126.27 41.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 62.140000000000001 110.914 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -128.7 122.63 31.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 110.931 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 24.2 p -131.28 137.2 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 61.140000000000001 110.851 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.38 130.09 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.150000000000006 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.28 124.96 29.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 63.009999999999998 110.828 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 19' ' ' ALA . . . . . 0.505 ' HB2' ' CD ' ' P' ' 112' ' ' LYS . . . -121.32 140.62 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.230000000000004 111.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -138.37 123.91 19.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 62.420000000000002 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.8 138.6 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.904 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.07 136.71 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.931 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -145.9 117.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 65.030000000000001 111.114 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.67 136.16 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.519999999999996 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' TRP . . . . . 0.404 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 3.5 p-90 -146.84 138.69 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 71.519999999999996 110.909 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.5 tm? -120.16 127.58 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.924 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 27' ' ' MET . . . . . 0.404 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 0.0 OUTLIER -124.07 128.54 49.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.230000000000004 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.13 177.55 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 64.129999999999995 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' THR . . . . . 0.411 HG21 ' ND1' ' N' ' 101' ' ' HIS . 14.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 65.219999999999999 111.115 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 101' ' ' HIS . . . . . 0.627 ' O ' HG23 ' C' ' 29' ' ' THR . 2.2 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 64.450000000000003 110.8 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.6 p -164.22 144.17 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 72.010000000000005 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.33 127.4 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.329999999999998 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 104' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.36 138.74 10.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 53.32 112.476 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.562 ' OG1' HD13 ' A' ' 26' ' ' LEU . 14.5 m -133.61 123.53 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 73.319999999999993 111.153 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -122.83 115.91 22.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.888 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.8 m -117.21 119.78 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.02 127.72 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.239999999999995 110.817 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.98 130.55 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 51.210000000000001 110.852 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -127.09 129.09 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 75.540000000000006 110.905 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -119.58 134.68 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 74.219999999999999 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 112' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -129.2 128.04 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 63.409999999999997 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -133.18 125.05 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 42.100000000000001 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -134.08 134.29 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.409999999999997 110.924 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.02 118.58 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.010000000000005 110.866 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -126.49 138.72 53.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 64.329999999999998 110.803 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 117' ' ' ARG . . . . . 0.453 ' HB2' HD12 ' A' ' 14' ' ' LEU . 7.5 ptm180 -139.82 140.09 36.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 74.120000000000005 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 128.49 43.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.039999999999999 110.825 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 119' ' ' ALA . . . . . 0.425 ' HB2' HH22 ' I' ' 117' ' ' ARG . . . -130.5 123.55 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.439999999999998 111.133 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -135.13 128.25 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 64.120000000000005 110.928 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -138.05 127.8 25.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 110.816 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.22 146.94 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 64.120000000000005 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -142.63 156.13 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.098 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.76 129.39 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 73.049999999999997 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -125.47 109.33 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.77 HD11 ' NE2' ' A' ' 3' ' ' GLN . 0.3 OUTLIER -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.099999999999994 110.912 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 127' ' ' MET . . . . . 0.756 ' N ' HD22 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -118.31 122.02 41.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.871 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 137.13 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 65.219999999999999 110.829 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.439999999999998 111.197 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 39.1 m170 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.794 0.331 . . . . 75.310000000000002 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.8 p -164.22 144.23 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 53.43 110.836 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.01 125.75 51.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.893 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 104' ' ' GLY . . . . . 0.582 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.64 137.97 9.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.783 -0.722 . . . . 74.239999999999995 112.49 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 15.2 m -132.05 123.96 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 64.310000000000002 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -123.07 116.04 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.889 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 86.6 m -116.23 119.3 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.11 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.41 124.74 34.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 110.794 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.7 134.74 33.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 71.409999999999997 110.846 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -125.06 127.72 47.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.140000000000001 110.921 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 18.4 m -119.57 136.58 54.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 64.409999999999997 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.55 ' NZ ' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -129.94 128.52 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.430000000000007 110.904 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -127.99 126.56 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 74.099999999999994 110.964 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -137.47 131.26 31.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 53.100000000000001 110.876 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.65 118.46 11.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 73.409999999999997 110.824 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -128.58 137.67 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 53.149999999999999 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.96 138.57 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.825 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.63 129.52 40.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 74.109999999999999 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.48 125.75 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.030000000000001 111.066 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -134.27 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.450000000000003 110.868 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -138.03 130.05 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.010000000000005 110.859 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.05 144.2 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.209999999999994 110.806 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' D' ' 8' ' ' SER . 12.8 m -142.98 153.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.230000000000004 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -135.2 130.31 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 71.200000000000003 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.76 109.24 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 70.25 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.992 HD23 HG22 ' B' ' 5' ' ' THR . 1.0 OUTLIER -116.51 116.31 27.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.310000000000002 110.897 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 127' ' ' MET . . . . . 0.612 ' N ' HD22 ' J' ' 126' ' ' LEU . 0.2 OUTLIER -118.97 126.99 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 72.319999999999993 110.911 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.54 134.32 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 42.100000000000001 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.054 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 74.540000000000006 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.22 167.95 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.150000000000006 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.5 128.16 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.209999999999994 110.95 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.26 138.72 10.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 73.299999999999997 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.61 HG23 ' HG ' ' C' ' 26' ' ' LEU . 6.9 m -131.81 121.29 23.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 75.200000000000003 111.146 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -117.88 110.97 18.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.400000000000006 110.88 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -112.81 117.82 33.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.510000000000005 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.54 130.52 47.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 61.420000000000002 110.848 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.6 141.86 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 54.130000000000003 110.874 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -135.1 142.33 46.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.923 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -141.02 138.31 33.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 63.009999999999998 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 137.68 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.040000000000006 110.88 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -136.06 117.71 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.209999999999994 110.967 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' L' ' 114' ' ' LEU . 0.4 OUTLIER -123.28 115.91 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 110.953 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.17 111.27 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 63.530000000000001 110.816 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 121.72 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.150000000000006 110.868 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.4 135.81 40.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.109999999999999 110.871 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -132.75 144.31 50.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 110.85 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.4 123.97 18.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -122.94 121.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 71.030000000000001 110.842 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -129.09 118.6 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 75.120000000000005 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -140.26 142.45 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.349999999999994 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -141.99 157.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 44.509999999999998 111.08 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -132.81 140.38 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 65.129999999999995 110.914 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.95 114.18 8.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.129999999999995 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' L' ' 126' ' ' LEU . 7.5 tt -120.9 128.76 53.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.233 -0.44 . . . . 62.43 110.962 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.8 124.96 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.885 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -127.85 139.31 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.040000000000006 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 111.162 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 101' ' ' HIS . . . . . 0.665 ' O ' HG23 ' D' ' 29' ' ' THR . 18.6 m170 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 71.5 110.828 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.61 168.57 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 64.040000000000006 110.849 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.72 126.24 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 63.439999999999998 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.513 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -134.43 135.68 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 72.549999999999997 112.485 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.678 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.9 m -130.28 120.24 24.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 75.319999999999993 111.137 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -118.51 110.74 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.530000000000001 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 107' ' ' THR . . . . . 0.408 HG23 ' HB2' ' F' ' 24' ' ' GLN . 7.0 m -111.2 117.46 33.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.319999999999993 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.94 126.54 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 62.25 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.12 143.43 38.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -134.56 141.32 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.9 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 6.3 t -140.06 138.91 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 52.329999999999998 110.826 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.592 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.63 138.06 37.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 51.219999999999999 110.897 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -134.36 118.38 17.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.953 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' K' ' 114' ' ' LEU . 0.4 OUTLIER -121.24 115.87 23.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 72.450000000000003 110.945 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.33 109.73 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.87 123.89 45.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.916 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.812 ' HD3' HD12 ' D' ' 14' ' ' LEU . 2.1 ptm180 -133.75 136.32 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.340000000000003 110.894 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -133.48 146.68 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 63.229999999999997 110.891 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.39 123.91 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -123.95 123.27 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -130.65 122.33 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.510000000000005 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -138.84 140.55 38.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 71.319999999999993 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' F' ' 8' ' ' SER . 16.6 m -142.09 154.92 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 111.122 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 124' ' ' GLN . . . . . 0.553 ' HB2' HG23 ' D' ' 7' ' ' THR . 22.5 tp60 -136.2 140.92 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.954 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -138.01 117.4 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.329999999999998 110.872 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' K' ' 126' ' ' LEU . 6.8 tt -120.01 129.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 71.450000000000003 110.911 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.74 128.42 47.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.439999999999998 110.793 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -124.69 137.33 54.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.329999999999998 110.822 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 54.109999999999999 111.14 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.331 . . . . 72.109999999999999 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.8 160.0 36.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.896 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.48 128.71 56.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.409999999999997 110.922 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.581 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -134.72 138.74 10.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 75.200000000000003 112.568 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.711 ' HB ' HD23 ' E' ' 26' ' ' LEU . 10.3 t -127.54 128.92 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 71.239999999999995 111.165 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 106' ' ' PHE . . . . . 0.449 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 20.4 t80 -121.62 119.33 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 110.919 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 107' ' ' THR . . . . . 0.729 HG22 ' HG3' ' E' ' 24' ' ' GLN . 7.5 p -127.1 119.25 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 71.439999999999998 111.13 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 31.2 t -137.69 134.86 35.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.844 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.25 128.93 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -121.85 138.36 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.129999999999995 110.866 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 76.7 p -141.5 137.87 32.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 65.409999999999997 110.83 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 112' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -135.3 141.34 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.400000000000006 110.879 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -134.65 124.08 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.099999999999994 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -124.82 125.14 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 75.109999999999999 110.887 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.23 110.56 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 110.905 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -127.27 126.46 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.817 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.01 138.11 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 74.400000000000006 110.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.76 135.39 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.219999999999999 110.892 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.52 123.1 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 70.510000000000005 111.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.6 126.27 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -134.61 121.52 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.129999999999995 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -136.73 141.67 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.349999999999994 110.92 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.4 m -141.83 156.79 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 111.184 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -133.85 134.5 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 109.95 8.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.299999999999997 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' N' ' 126' ' ' LEU . 9.6 tt -116.24 134.18 55.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 74.099999999999994 110.907 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 127' ' ' MET . . . . . 0.427 ' N ' HD23 ' M' ' 126' ' ' LEU . 0.3 OUTLIER -130.51 125.69 34.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 70.120000000000005 110.832 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.52 140.38 53.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.933 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.077 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 101' ' ' HIS . . . . . 0.411 ' ND1' HG21 ' H' ' 29' ' ' THR . 5.7 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.831 0.348 . . . . 74.239999999999995 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.57 160.59 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.520000000000003 110.886 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 103' ' ' GLN . . . . . 0.524 ' HG2' HD21 ' H' ' 26' ' ' LEU . 0.7 OUTLIER -112.67 127.04 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 70.219999999999999 110.934 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.535 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -134.35 136.53 8.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.719 . . . . 54.030000000000001 112.455 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 105' ' ' THR . . . . . 0.658 ' HB ' HD23 ' H' ' 26' ' ' LEU . 12.1 t -131.26 129.13 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 73.019999999999996 111.159 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -122.73 121.91 37.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 11.1 p -120.15 121.62 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.340000000000003 111.181 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t -138.3 129.59 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.53 130.26 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -121.3 136.06 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.539999999999999 110.906 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 76.6 p -142.15 138.1 31.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 74.349999999999994 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.763 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -135.92 141.79 44.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 63.329999999999998 110.851 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -133.13 124.11 26.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 74.230000000000004 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -123.4 125.17 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 73.319999999999993 110.958 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.56 110.02 9.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 72.549999999999997 110.912 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 p -125.93 129.58 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.811 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.41 136.1 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 64.209999999999994 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.51 137.23 54.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 70.409999999999997 110.847 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -132.71 123.63 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.119999999999997 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -130.72 126.98 37.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.329999999999998 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -137.47 122.02 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 72.409999999999997 110.797 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -136.1 143.34 44.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.099999999999994 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.73 152.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.138 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -136.95 135.32 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 64.349999999999994 110.873 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.12 112.07 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.020000000000003 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' M' ' 126' ' ' LEU . 9.9 tt -114.21 133.69 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 62.420000000000002 110.977 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -133.46 129.51 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.519999999999996 110.849 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.5 138.86 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 63.420000000000002 110.892 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 71.120000000000005 111.211 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.778 0.323 . . . . 65.400000000000006 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 12.4 p -156.35 153.57 29.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.841 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.13 129.92 48.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 62.350000000000001 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.641 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.02 138.63 8.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 62.299999999999997 112.469 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.621 HG23 HD23 ' G' ' 26' ' ' LEU . 0.9 OUTLIER -125.6 129.43 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 111.128 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 106' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 26.2 t80 -121.42 127.69 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 62.409999999999997 110.881 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -139.37 122.91 17.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 75.319999999999993 111.146 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -143.89 146.75 33.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 110.951 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.81 157.43 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.877 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -146.13 127.95 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 70.439999999999998 110.965 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.41 137.58 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 65.310000000000002 110.846 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 112' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' O' ' 114' ' ' LEU . 18.2 tptp -128.32 128.71 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 71.400000000000006 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.55 115.78 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.329999999999998 110.951 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.449 HD12 ' HE3' ' O' ' 112' ' ' LYS . 0.1 OUTLIER -120.39 131.78 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 43.509999999999998 110.967 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -143.39 114.3 7.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.140000000000001 110.911 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 58.1 p -136.87 127.02 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.837 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -135.3 146.27 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.430000000000007 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 118' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' G' ' 13' ' ' TYR . 0.1 OUTLIER -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 70.120000000000005 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.35 124.85 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.349999999999994 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.64 125.82 44.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 64.510000000000005 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.71 120.41 23.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -140.79 144.39 35.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 71.310000000000002 110.851 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' G' ' 8' ' ' SER . 12.3 m -142.58 156.12 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.420000000000002 111.186 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -131.66 136.06 47.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -137.97 113.81 9.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 71.450000000000003 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' P' ' 126' ' ' LEU . 10.5 tt -117.98 131.88 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.230000000000004 110.903 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.428 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.1 mmt -126.76 124.2 39.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.941 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.49 131.36 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 64.510000000000005 110.883 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 129' ' ' THR . . . . . 0.527 HG23 ' CB ' ' G' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 72.319999999999993 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 44.2 m170 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.8 0.333 . . . . 73.349999999999994 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 12.5 p -156.9 154.76 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.099999999999994 110.877 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.48 129.72 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.75 138.0 7.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 44.140000000000001 112.512 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -128.13 129.1 46.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 64.219999999999999 111.192 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -120.75 129.82 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 64.450000000000003 110.868 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -138.71 123.32 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 111.219 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -144.76 147.09 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 44.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.05 158.76 43.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 71.540000000000006 110.87 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -146.17 127.55 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.310000000000002 110.937 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.44 134.81 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.109999999999999 110.766 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 112' ' ' LYS . . . . . 0.505 ' CD ' ' HB2' ' H' ' 19' ' ' ALA . 18.1 tptp -129.33 128.13 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.409999999999997 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.38 115.27 20.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 64.540000000000006 110.926 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.469 HD12 ' HZ1' ' P' ' 112' ' ' LYS . 0.1 OUTLIER -116.93 134.26 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.439999999999998 110.909 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -144.14 113.84 7.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 65.340000000000003 110.819 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -134.02 131.06 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.010000000000005 110.849 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 117' ' ' ARG . . . . . 0.622 HH11 HD13 ' H' ' 14' ' ' LEU . 7.8 ptm180 -134.6 148.83 50.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 71.209999999999994 110.849 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 150.89 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 63.210000000000001 110.838 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 119' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -145.08 123.94 12.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 62.420000000000002 111.173 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.64 124.27 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.329999999999998 110.957 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -135.63 118.87 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 53.310000000000002 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 53.210000000000001 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.97 153.51 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 54.549999999999997 111.152 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 124' ' ' GLN . . . . . 0.492 ' CB ' HG23 ' H' ' 7' ' ' THR . 13.2 pt20 -134.15 134.04 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.209999999999994 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.83 114.68 11.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 74.530000000000001 110.871 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' O' ' 126' ' ' LEU . 10.6 tt -118.62 132.24 56.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 63.439999999999998 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -128.27 125.49 38.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.841 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -122.42 133.89 54.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.901 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.540000000000006 111.174 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.704 0.287 . . . . 63.310000000000002 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -145.3 153.36 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 54.25 110.914 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.57 156.79 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 73.120000000000005 110.901 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.23 128.39 2.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 64.519999999999996 112.516 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -126.15 138.2 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 65.120000000000005 111.135 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.07 111.39 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.019999999999996 110.876 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.1 142.74 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 74.430000000000007 111.161 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.665 ' HA ' HG12 ' I' ' 123' ' ' VAL . 13.3 t -140.38 134.64 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 54.539999999999999 110.873 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.65 125.37 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.040000000000006 110.928 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.29 122.55 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.409999999999997 110.91 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.51 130.87 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 65.329999999999998 110.86 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 124.46 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 75.400000000000006 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 132.93 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 75.099999999999994 110.829 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.4 OUTLIER -123.13 118.73 28.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 74.25 110.91 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.43 122.62 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 75.530000000000001 110.864 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.75 148.39 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.1 ptm180 -146.41 148.96 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 72.349999999999994 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -141.28 124.26 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 110.955 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.68 139.55 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 35.140000000000001 111.148 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.03 123.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.319999999999993 110.917 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -119.59 127.39 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 110.822 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.6 t -144.89 117.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.230000000000004 111.206 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.09 138.92 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.913 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -140.89 137.06 32.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.510000000000005 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD13 ' HB ' ' I' ' 105' ' ' THR . 2.3 tp -133.81 130.21 37.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 63.020000000000003 110.907 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.558 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -121.64 138.42 54.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.842 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -149.41 176.81 10.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.219999999999999 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.15 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 62.350000000000001 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -144.95 153.6 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.868 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.7 152.21 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 75.140000000000001 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 130.87 2.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 64.319999999999993 112.505 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.404 HG21 HD13 ' I' ' 126' ' ' LEU . 3.3 p -126.08 136.73 53.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.883 0.373 . . . . 54.210000000000001 111.126 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.91 115.7 9.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.836 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.593 HG23 ' CB ' ' J' ' 124' ' ' GLN . 0.2 OUTLIER -119.64 144.2 47.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 60.420000000000002 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -137.6 135.45 36.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 72.099999999999994 110.83 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -134.99 126.69 29.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 64.319999999999993 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.39 125.29 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.430000000000007 110.935 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.07 132.24 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 74.519999999999996 110.889 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 129.68 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 110.925 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.31 131.54 53.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.19 116.57 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.439999999999998 110.892 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.29 122.99 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.349999999999994 110.857 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.5 146.83 46.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 51.109999999999999 110.934 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.54 146.05 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -145.04 124.5 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 139.18 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 72.150000000000006 111.114 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.87 124.11 19.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.229999999999997 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.43 128.85 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.430000000000007 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.12 128.41 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.510000000000005 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -144.14 122.79 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 55.240000000000002 111.134 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' HB3' HG23 ' J' ' 107' ' ' THR . 1.7 tm0? -138.01 139.75 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 110.921 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 27' ' ' MET . 4.1 tp -134.35 131.27 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' MET . . . . . 0.536 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -122.62 137.55 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 110.871 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.68 176.37 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.239999999999995 110.852 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 61.100000000000001 111.178 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 72.209999999999994 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.2 p -151.36 158.83 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 110.873 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLN . . . . . 0.419 ' NE2' HD21 ' K' ' 126' ' ' LEU . 1.5 pp0? -165.74 145.44 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 63.009999999999998 110.843 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.13 129.42 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 55.020000000000003 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -124.05 118.32 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 71.150000000000006 111.068 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.27 116.08 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.109999999999999 110.896 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -123.07 143.48 49.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.319999999999993 111.143 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.563 ' HA ' HG12 ' K' ' 123' ' ' VAL . 2.0 t -138.39 135.05 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.814 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.73 122.27 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 72.120000000000005 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -133.77 129.28 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.420000000000002 110.939 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -131.5 142.05 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.409999999999997 110.903 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' K' ' 119' ' ' ALA . 3.0 ttpm? -138.82 138.42 37.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.140000000000001 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -140.42 130.72 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 42.210000000000001 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.98 131.07 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -137.35 122.82 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.299999999999997 110.822 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.29 124.23 33.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 110.858 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.77 135.47 54.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.530000000000001 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -131.67 129.19 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.856 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 132.32 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.319999999999993 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.99 123.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 74.209999999999994 110.945 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -126.63 124.15 39.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.98 123.61 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.409999999999997 110.928 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.28 131.64 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.25 111.181 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' K' ' 107' ' ' THR . 4.4 tp-100 -135.92 121.33 19.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -117.8 128.99 55.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 74.239999999999995 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -135.45 131.61 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.549999999999997 110.873 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.4 130.69 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.898 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -161.16 176.98 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.887 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.5 HG22 ' HA ' ' I' ' 102' ' ' SER . 43.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 65.109999999999999 111.12 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 75.439999999999998 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -151.26 159.07 44.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 110.816 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -162.87 142.88 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 72.349999999999994 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 131.61 5.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 45.229999999999997 112.568 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -121.18 118.42 29.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 72.450000000000003 111.143 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.71 115.94 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 64.239999999999995 110.834 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -119.22 141.71 48.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.32 111.143 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -135.87 134.66 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.822 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.47 120.93 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -133.84 130.44 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 70.400000000000006 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -129.22 142.37 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 64.400000000000006 110.832 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -137.56 139.39 40.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.959 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -139.65 131.34 27.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.91 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' L' ' 117' ' ' ARG . 3.5 mp -133.18 129.42 37.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.845 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.19 122.86 18.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.120000000000005 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.2 123.28 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.310000000000002 110.843 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -122.1 132.86 54.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.209999999999994 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -134.78 128.85 33.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.82 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.642 ' HB2' ' HE2' ' L' ' 112' ' ' LYS . . . -124.26 133.46 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 124.36 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 51.439999999999998 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -124.25 127.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.58 123.71 41.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 110.874 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' VAL . . . . . 0.509 HG13 ' OG ' ' L' ' 108' ' ' SER . 21.4 t -132.18 129.73 60.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 111.152 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -138.6 120.21 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -117.71 129.83 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 70.319999999999993 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.09 134.69 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 74.239999999999995 110.989 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 130.18 22.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.340000000000003 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -160.77 177.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.019999999999996 110.86 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 65.049999999999997 111.095 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 64.510000000000005 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.78 152.74 42.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 45.200000000000003 110.88 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.62 163.36 35.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 71.140000000000001 110.923 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 131.52 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 60.049999999999997 112.572 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -120.21 135.45 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 63.450000000000003 111.19 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.7 111.71 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.239999999999995 110.882 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.48 141.15 51.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.030000000000001 111.117 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.67 ' HA ' HG12 ' M' ' 123' ' ' VAL . 10.4 t -141.42 134.64 29.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 110.841 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.59 119.57 14.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 72.349999999999994 110.851 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -131.98 120.82 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 63.340000000000003 110.977 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -124.66 141.92 51.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.299999999999997 110.891 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.85 138.92 30.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.530000000000001 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -142.84 124.34 14.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.049999999999997 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -122.92 121.21 35.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.219999999999999 110.929 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -123.97 124.66 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 64.230000000000004 110.879 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -132.69 122.54 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 137.5 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.129999999999995 110.83 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -131.28 140.65 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' M' ' 112' ' ' LYS . . . -131.26 137.46 48.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 111.074 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.09 126.52 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.52 130.59 45.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 54.350000000000001 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.9 125.77 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 23.7 t -132.05 120.43 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 71.530000000000001 111.15 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' GLN . . . . . 0.432 ' NE2' HG23 ' M' ' 107' ' ' THR . 4.9 tp-100 -128.73 122.52 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 74.030000000000001 110.856 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 131.51 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.319999999999993 110.949 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 126.01 31.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.912 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.96 135.26 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.299999999999997 110.906 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.83 176.74 9.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 111.155 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -142.56 153.0 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 73.420000000000002 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' GLN . . . . . 0.649 HE22 HD21 ' L' ' 126' ' ' LEU . 1.6 pp0? -156.0 157.6 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 72.310000000000002 110.864 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 132.82 3.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 63.310000000000002 112.464 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -122.56 133.64 54.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 65.140000000000001 111.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -137.81 115.28 11.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 110.886 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 143.91 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 73.129999999999995 111.127 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.409 ' HA ' HG12 ' L' ' 123' ' ' VAL . 10.4 t -135.38 134.87 40.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 62.219999999999999 110.914 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.98 119.16 12.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.310000000000002 110.882 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.24 118.95 21.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 75.129999999999995 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -125.92 140.44 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 64.230000000000004 110.888 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -140.86 141.78 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.240000000000002 110.868 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -140.11 122.72 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 60.219999999999999 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' N' ' 117' ' ' ARG . 1.0 OUTLIER -121.93 120.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 71.319999999999993 110.861 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -125.11 125.15 43.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.797 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 124.15 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 62.210000000000001 110.836 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' ARG . . . . . 0.426 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.2 OUTLIER -124.69 132.36 53.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.420000000000002 110.864 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -132.93 138.76 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.230000000000004 110.87 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.34 138.4 47.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.43 111.079 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -136.39 128.35 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 74.439999999999998 110.92 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -127.6 133.92 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 50.020000000000003 110.86 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -123.47 126.41 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.902 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' VAL . . . . . 0.458 HG13 ' HE1' ' N' ' 106' ' ' PHE . 29.9 t -133.14 118.29 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.150000000000006 111.142 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -132.14 118.46 19.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 73.230000000000004 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 130.47 56.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 72.140000000000001 110.868 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.523 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -129.69 126.52 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 50.020000000000003 110.909 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.08 129.35 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.877 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -164.7 177.45 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 73.150000000000006 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 29' ' ' THR . . . . . 0.54 HG22 ' HA ' ' N' ' 102' ' ' SER . 19.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 111.225 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.795 0.331 . . . . 73.109999999999999 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.72 157.55 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.129999999999995 110.822 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.85 137.29 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 73.140000000000001 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.56 128.55 6.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 64.209999999999994 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 14.8 p -123.18 117.25 24.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 41.32 111.114 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -128.35 119.36 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.942 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.34 124.28 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.319999999999993 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.539 ' HA ' HG12 ' O' ' 123' ' ' VAL . 1.5 t -118.41 134.94 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.400000000000006 110.833 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 121.13 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 110.85 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.6 127.86 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.439999999999998 110.948 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -135.7 142.4 45.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 72.400000000000006 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.33 144.32 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.430000000000007 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -134.39 138.82 45.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.310000000000002 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.555 HD23 ' CD ' ' O' ' 117' ' ' ARG . 0.1 OUTLIER -129.92 118.0 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 72.299999999999997 110.938 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -121.9 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.847 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.94 119.72 26.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 65.109999999999999 110.835 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 134.51 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 73.030000000000001 110.859 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -134.76 136.65 42.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.239999999999995 110.826 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.31 135.34 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 111.086 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -138.19 123.88 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -130.17 129.59 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 71.030000000000001 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.99 136.66 53.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 t -140.84 134.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.113 -0.494 . . . . 72.150000000000006 111.061 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' GLN . . . . . 0.594 ' NE2' HG22 ' O' ' 107' ' ' THR . 2.7 tp-100 -144.45 117.75 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 52.219999999999999 110.843 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -117.2 129.8 56.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 71.510000000000005 110.971 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.807 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.4 tm? -135.13 129.2 33.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.219999999999999 110.88 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.589 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -137.26 131.25 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 55.310000000000002 110.91 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -164.75 149.8 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.530000000000001 110.845 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 74.010000000000005 111.177 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.837 0.351 . . . . 71.040000000000006 110.806 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.3 155.41 42.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.540000000000006 110.841 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.94 134.06 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 74.109999999999999 110.862 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 130.19 6.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.656 -0.783 . . . . 64.030000000000001 112.445 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 5' ' ' THR . . . . . 0.487 HG22 HD12 ' P' ' 126' ' ' LEU . 11.7 p -121.82 118.97 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 74.120000000000005 111.132 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -127.58 121.62 31.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 63.219999999999999 110.906 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 127.65 46.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 74.230000000000004 111.117 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -117.94 134.74 54.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 72.040000000000006 110.882 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.46 118.56 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.049999999999997 110.965 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -129.72 128.15 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 110.898 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -136.02 140.78 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 31.350000000000001 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.38 142.93 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.200000000000003 110.878 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -136.4 136.29 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.430000000000007 110.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.68 119.89 25.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 62.140000000000001 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -123.37 122.74 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 110.907 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 119.63 27.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 61.140000000000001 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 17' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -125.13 132.89 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.150000000000006 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -133.97 137.42 44.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 63.009999999999998 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.85 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 71.230000000000004 111.143 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -135.86 126.53 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 62.420000000000002 110.857 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -128.67 130.58 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.400000000000006 110.825 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.89 138.31 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.875 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -144.23 132.91 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.030000000000001 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -144.1 116.99 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -119.32 129.28 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.537 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.9 tm? -133.3 133.34 42.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 27' ' ' MET . . . . . 0.518 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -137.74 130.43 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.230000000000004 110.93 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -164.62 151.06 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.911 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 65.219999999999999 111.125 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 64.450000000000003 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 102' ' ' SER . . . . . 0.5 ' HA ' HG22 ' C' ' 29' ' ' THR . 6.9 t -76.96 157.08 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.813 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.54 127.15 10.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 63.329999999999998 110.935 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 104' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -134.63 137.02 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 53.32 112.465 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.619 ' HB ' HD13 ' A' ' 26' ' ' LEU . 4.7 t -127.68 128.06 44.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 73.319999999999993 111.21 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -127.09 124.22 38.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 125.27 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 111.171 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -132.04 136.49 47.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 72.239999999999995 110.864 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.63 140.81 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 51.210000000000001 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -134.14 127.83 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 75.540000000000006 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -120.6 134.67 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.219999999999999 110.805 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 112' ' ' LYS . . . . . 0.619 ' HE2' HD12 ' I' ' 114' ' ' LEU . 0.0 OUTLIER -133.6 128.53 35.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 63.409999999999997 110.82 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -129.56 127.59 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 42.100000000000001 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -127.33 133.02 50.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 74.409999999999997 110.908 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.07 109.51 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.010000000000005 110.841 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.21 130.31 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 64.329999999999998 110.873 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 117' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.34 141.43 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 74.120000000000005 110.853 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 131.9 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 63.039999999999999 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.71 123.38 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.439999999999998 111.148 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.83 125.36 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -134.95 126.76 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 63.219999999999999 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.27 143.99 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 110.911 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.9 m -140.01 156.8 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.5 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.96 134.02 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 73.049999999999997 110.963 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -131.43 126.67 35.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 71.340000000000003 110.855 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' J' ' 126' ' ' LEU . 7.4 tt -124.15 132.28 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.887 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' I' ' 126' ' ' LEU . 2.0 mmt -128.29 125.09 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 70.439999999999998 110.927 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -131.1 137.91 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 65.219999999999999 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 64.439999999999998 111.194 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 75.310000000000002 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.0 t -76.94 157.42 31.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 53.43 110.89 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.22 126.71 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.49 137.2 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 74.239999999999995 112.548 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -128.42 128.75 45.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 64.310000000000002 111.115 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -127.52 123.12 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 63.25 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 107' ' ' THR . . . . . 0.442 HG23 ' HB3' ' B' ' 24' ' ' GLN . 1.3 t -122.8 124.07 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 73.219999999999999 111.109 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -135.19 132.42 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.447 . . . . 70.420000000000002 110.84 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.16 141.73 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.907 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -134.09 127.2 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.140000000000001 110.945 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 37.1 t -120.62 135.77 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 64.409999999999997 110.827 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.674 ' HE2' HD12 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -135.73 128.32 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 74.430000000000007 110.876 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 129.77 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.099999999999994 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -128.53 134.0 48.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 53.100000000000001 110.949 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.2 110.54 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.848 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.56 124.91 35.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 53.149999999999999 110.884 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.25 142.52 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.219999999999999 110.79 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 134.1 45.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.109999999999999 110.822 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.65 123.85 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.030000000000001 111.083 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.0 125.87 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 75.450000000000003 110.848 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.78 128.93 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -141.79 143.54 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.45 154.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 64.230000000000004 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 124' ' ' GLN . . . . . 0.593 ' CB ' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -137.23 135.85 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.200000000000003 110.908 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -126.24 126.49 44.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 70.25 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' I' ' 126' ' ' LEU . 7.2 tt -124.72 129.76 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 110.837 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 127' ' ' MET . . . . . 0.472 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.9 mmt -129.77 128.16 41.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.813 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 128' ' ' ASN . . . . . 0.415 HD22 ' N ' ' J' ' 129' ' ' THR . 0.1 OUTLIER -129.48 136.39 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 42.100000000000001 110.825 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 129' ' ' THR . . . . . 0.415 ' N ' HD22 ' J' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.140000000000001 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.540000000000006 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -160.62 162.83 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.150000000000006 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 128.01 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.835 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.499 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -138.82 137.67 8.85 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.686 -0.769 . . . . 73.299999999999997 112.449 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.515 HG23 ' HG ' ' C' ' 26' ' ' LEU . 24.2 m -133.93 144.66 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 75.200000000000003 111.135 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -140.85 112.08 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 107' ' ' THR . . . . . 0.451 HG23 ' NE2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -111.56 118.39 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.510000000000005 111.151 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.07 125.21 34.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 61.420000000000002 110.893 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -134.44 132.35 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 54.130000000000003 110.937 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -129.03 133.72 47.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 73.409999999999997 110.968 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -131.76 133.97 45.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 63.009999999999998 110.893 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 112' ' ' LYS . . . . . 0.542 ' HZ1' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -131.23 130.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.040000000000006 110.881 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.53 115.03 16.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 72.209999999999994 110.93 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.542 HD12 ' HZ1' ' K' ' 112' ' ' LYS . 0.0 OUTLIER -119.59 124.27 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 110.919 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -128.31 109.72 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 63.530000000000001 110.87 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -123.74 122.55 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.150000000000006 110.888 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.0 137.63 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 152.35 49.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.209999999999994 110.87 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 119' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' C' ' 12' ' ' LYS . . . -147.32 134.67 20.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 71.239999999999995 111.13 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.52 121.94 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.030000000000001 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -127.1 117.36 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.120000000000005 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -137.65 141.39 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.869 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' C' ' 8' ' ' SER . 3.9 m -144.28 156.37 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 44.509999999999998 111.107 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -136.0 139.88 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.129999999999995 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -135.35 116.74 14.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.624 HD23 ' O ' ' K' ' 126' ' ' LEU . 0.3 OUTLIER -118.55 127.45 53.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 62.43 110.951 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.11 125.08 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 73.439999999999998 110.904 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.53 130.62 52.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.040000000000006 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 111.129 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 71.5 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -159.77 162.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.040000000000006 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.02 126.25 13.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 63.439999999999998 110.921 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.523 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -138.33 136.74 8.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.845 -0.693 . . . . 72.549999999999997 112.526 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 24.0 m -134.55 137.5 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 75.319999999999993 111.115 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -135.29 112.37 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.530000000000001 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.87 115.84 29.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 111.123 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 108' ' ' SER . . . . . 0.509 ' OG ' HG13 ' D' ' 23' ' ' VAL . 0.6 OUTLIER -132.21 124.31 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 62.25 110.867 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.73 135.46 38.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.150000000000006 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -126.11 132.96 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.430000000000007 110.913 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -130.97 134.41 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 52.329999999999998 110.816 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.46 130.73 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 51.219999999999999 110.853 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -129.49 115.22 17.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 110.894 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.482 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -120.67 124.16 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.450000000000003 110.904 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -126.11 109.42 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 63.409999999999997 110.897 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 6.8 p -123.81 123.37 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.841 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.692 ' HD2' HD13 ' D' ' 14' ' ' LEU . 0.1 OUTLIER -138.18 143.02 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 72.340000000000003 110.85 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 152.05 46.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 63.229999999999997 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.26 136.35 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -130.93 122.35 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 73.430000000000007 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -126.95 119.36 26.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.510000000000005 110.808 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -138.35 140.13 39.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.835 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' F' ' 8' ' ' SER . 6.9 m -144.02 155.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 73.140000000000001 111.169 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.5 140.83 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.420000000000002 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -133.72 120.01 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.649 HD21 HE22 ' F' ' 3' ' ' GLN . 0.2 OUTLIER -119.41 127.43 53.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 71.450000000000003 110.935 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 128.79 50.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.439999999999998 110.908 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -124.34 129.21 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.329999999999998 110.869 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 54.109999999999999 111.171 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 72.109999999999999 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 27.3 p -163.18 142.11 8.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.82 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.09 128.88 55.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.409999999999997 110.878 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.72 138.46 9.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 75.200000000000003 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -135.05 133.27 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 71.239999999999995 111.166 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.47 124.33 35.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 110.799 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 107' ' ' THR . . . . . 0.432 HG23 ' NE2' ' E' ' 24' ' ' GLN . 0.2 OUTLIER -119.11 118.93 32.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 71.439999999999998 111.186 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -128.6 130.32 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -132.05 140.07 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.340000000000003 110.865 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.41 127.82 38.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.966 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.85 134.17 48.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.409999999999997 110.878 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 112' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -133.2 129.98 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.400000000000006 110.908 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -128.16 114.98 17.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.099999999999994 110.921 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' H' ' 17' ' ' ARG . 0.1 OUTLIER -120.32 121.18 38.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.109999999999999 110.886 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -130.16 110.1 11.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.129999999999995 110.856 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -127.2 122.18 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 117' ' ' ARG . . . . . 0.546 ' CD ' HD13 ' G' ' 14' ' ' LEU . 3.2 ptm180 -135.54 138.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.400000000000006 110.944 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 146.95 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.219999999999999 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.46 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.510000000000005 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.33 124.14 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.25 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -128.18 121.1 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.804 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -140.84 142.99 34.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.349999999999994 110.926 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' E' ' 8' ' ' SER . 12.3 m -140.78 156.46 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.530000000000001 111.142 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.47 136.51 45.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -129.47 133.56 47.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 73.299999999999997 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.604 HD23 ' N ' ' M' ' 127' ' ' MET . 6.6 tt -131.97 133.89 45.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.099999999999994 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 127' ' ' MET . . . . . 0.604 ' N ' HD23 ' M' ' 126' ' ' LEU . 9.4 mmt -132.07 125.0 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 70.120000000000005 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.84 140.34 51.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 62.130000000000003 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.144 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 102' ' ' SER . . . . . 0.54 ' HA ' HG22 ' F' ' 29' ' ' THR . 26.7 p -162.87 141.38 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 62.520000000000003 110.873 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 125.22 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.219999999999999 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.95 136.45 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 54.030000000000001 112.454 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 105' ' ' THR . . . . . 0.404 HG22 ' HB3' ' F' ' 26' ' ' LEU . 5.3 t -132.86 136.66 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 73.019999999999996 111.184 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 106' ' ' PHE . . . . . 0.458 ' HE1' HG13 ' F' ' 23' ' ' VAL . 4.6 t80 -127.93 122.95 33.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.856 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 117.78 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 111.076 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -127.91 128.28 44.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -130.81 140.65 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.9 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.16 126.95 36.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 50.539999999999999 110.927 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 134.3 46.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.851 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 129.94 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 63.329999999999998 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -127.97 114.86 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 74.230000000000004 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.39 121.46 39.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.319999999999993 110.946 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -130.71 108.69 10.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 72.549999999999997 110.912 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -126.21 124.89 41.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 74.329999999999998 110.891 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 117' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' F' ' 14' ' ' LEU . 2.6 ptm180 -134.82 135.64 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 64.209999999999994 110.865 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 148.47 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.409999999999997 110.84 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.23 135.06 23.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 51.119999999999997 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.6 123.18 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.329999999999998 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.49 123.35 33.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 72.409999999999997 110.919 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -137.5 141.03 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 70.099999999999994 110.871 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.67 154.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 111.06 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -135.66 134.48 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.349999999999994 110.912 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.69 133.28 49.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 62.020000000000003 110.973 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.578 HD23 ' N ' ' N' ' 127' ' ' MET . 6.3 tt -132.24 132.1 42.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 62.420000000000002 110.885 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 127' ' ' MET . . . . . 0.578 ' N ' HD23 ' N' ' 126' ' ' LEU . 9.5 mmt -130.52 127.67 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.519999999999996 110.848 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.17 138.87 52.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 63.420000000000002 110.955 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.120000000000005 111.125 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 m170 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 65.400000000000006 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -80.37 138.89 36.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.420000000000002 110.92 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.38 136.54 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.350000000000001 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.441 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.47 140.49 9.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.711 . . . . 62.299999999999997 112.5 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.807 ' HB ' HD23 ' G' ' 26' ' ' LEU . 9.8 t -136.42 128.44 29.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 74.430000000000007 111.16 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.12 119.51 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 62.409999999999997 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 107' ' ' THR . . . . . 0.594 HG22 ' NE2' ' G' ' 24' ' ' GLN . 2.1 p -113.34 138.41 50.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.161 -0.472 . . . . 75.319999999999993 111.127 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -146.65 136.05 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.109999999999999 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -141.1 140.91 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 73.209999999999994 110.918 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.79 127.33 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 70.439999999999998 110.919 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -130.86 137.1 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 65.310000000000002 110.801 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.35 132.9 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.400000000000006 110.913 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -130.72 121.79 26.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.329999999999998 110.887 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -128.21 115.62 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 43.509999999999998 110.897 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.2 113.12 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.140000000000001 110.896 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.41 121.55 39.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 64.140000000000001 110.873 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.555 ' CD ' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.98 124.44 39.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.430000000000007 110.878 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -124.31 133.42 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.120000000000005 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.3 125.64 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.349999999999994 111.106 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.6 126.59 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.510000000000005 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.75 136.0 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.439999999999998 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -145.58 141.74 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.310000000000002 110.885 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.5 m -145.5 144.31 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.420000000000002 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -125.43 136.5 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.319999999999993 110.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -137.23 120.97 17.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 71.450000000000003 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' P' ' 126' ' ' LEU . 3.3 tt -127.33 132.42 50.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 110.958 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.64 124.09 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.894 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.33 135.59 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 64.510000000000005 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 111.146 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.823 0.344 . . . . 73.349999999999994 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.11 138.94 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -123.23 136.19 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.109999999999999 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.66 139.44 8.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 44.140000000000001 112.471 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -132.61 132.22 42.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 64.219999999999999 111.125 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -127.04 116.1 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.450000000000003 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 p -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.040000000000006 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -145.69 136.89 24.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 44.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -138.89 142.5 38.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.540000000000006 110.847 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -137.85 127.46 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.310000000000002 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -132.19 136.08 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.109999999999999 110.818 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.37 133.12 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.409999999999997 110.878 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -131.63 121.53 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 64.540000000000006 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' O' ' 114' ' ' LEU . 0.0 OUTLIER -124.66 118.38 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 74.439999999999998 110.944 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.51 111.64 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 65.340000000000003 110.889 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.8 122.23 40.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 73.010000000000005 110.858 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 123.14 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.209999999999994 110.89 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -117.92 137.22 52.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.210000000000001 110.834 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.62 123.9 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.066 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.32 127.81 26.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.329999999999998 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.43 134.4 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 53.310000000000002 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -143.62 142.59 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 53.210000000000001 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 11.6 m -145.86 143.43 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 54.549999999999997 111.04 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.8 136.42 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.841 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -137.13 121.71 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.530000000000001 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' O' ' 126' ' ' LEU . 2.7 tt -127.41 133.45 49.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 63.439999999999998 110.959 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.3 125.58 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.824 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.319999999999993 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.540000000000006 111.161 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.848 0.356 . . . . 63.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HB3' HG23 ' I' ' 129' ' ' THR . 0.0 OUTLIER -152.78 157.19 40.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 54.25 110.897 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.35 135.61 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.879 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' HE1' ' I' ' 127' ' ' MET . . . -130.64 139.35 10.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 64.519999999999996 112.493 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -130.76 117.71 19.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 65.120000000000005 111.154 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -124.84 121.74 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.019999999999996 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -134.64 149.58 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.430000000000007 111.151 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.593 ' HA ' HG12 ' I' ' 123' ' ' VAL . 21.7 m -140.86 135.35 31.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 54.539999999999999 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.64 122.16 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 74.040000000000006 110.828 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.79 126.72 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.409999999999997 110.901 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.31 132.56 51.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 65.329999999999998 110.843 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 122.79 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 75.400000000000006 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.69 135.92 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.099999999999994 110.913 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 115.65 22.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.943 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.36 123.21 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.530000000000001 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.96 140.53 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 73.219999999999999 110.891 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 HH21 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -139.63 126.18 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.928 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -125.25 120.74 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.109999999999999 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.52 142.67 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 35.140000000000001 111.098 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.83 125.03 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.319999999999993 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.19 138.64 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.53 139.39 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.863 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.73 123.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 74.230000000000004 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.24 136.7 45.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 74.120000000000005 110.858 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -141.84 132.72 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 74.510000000000005 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.792 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.2 pp -133.32 147.3 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 63.020000000000003 110.919 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 146.11 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 71.209999999999994 110.922 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -163.52 175.75 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.71 HG23 ' N ' ' I' ' 101' ' ' HIS . 1.7 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 74.239999999999995 111.208 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.864 0.364 . . . . 62.350000000000001 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.86 157.15 40.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 64.230000000000004 110.812 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.43 133.7 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 75.140000000000001 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.04 140.58 11.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 64.319999999999993 112.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -129.93 117.84 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 54.210000000000001 111.093 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -125.74 125.03 42.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -129.43 150.44 50.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 60.420000000000002 111.108 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -138.15 135.2 35.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.099999999999994 110.872 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.92 122.05 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.319999999999993 110.83 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.17 124.95 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 134.12 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 74.519999999999996 110.865 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 128.16 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.931 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.96 134.34 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 71.540000000000006 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 112.76 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 73.439999999999998 110.957 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.62 122.24 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.349999999999994 110.844 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.79 139.16 41.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 51.109999999999999 110.873 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.38 122.08 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.329999999999998 110.876 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -128.01 123.46 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.19 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.150000000000006 111.05 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.66 124.08 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 63.229999999999997 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.37 140.76 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.430000000000007 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 141.18 46.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 110.821 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' J' ' 108' ' ' SER . 57.6 t -143.8 127.11 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 55.240000000000002 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.99 140.18 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.329999999999998 110.954 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -138.4 135.2 35.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 74.120000000000005 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -133.09 147.2 52.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 75.510000000000005 110.939 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 146.55 39.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 73.209999999999994 110.87 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.24 177.04 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.239999999999995 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 61.100000000000001 111.154 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 72.209999999999994 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.46 151.2 44.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 51.539999999999999 110.849 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.61 131.03 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 63.009999999999998 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.64 144.95 17.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 55.020000000000003 112.522 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -129.25 143.53 50.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 71.150000000000006 111.173 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.44 119.62 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 75.109999999999999 110.835 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.77 138.71 53.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.319999999999993 111.096 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.1 OUTLIER -133.55 134.03 42.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 64.239999999999995 110.858 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -134.99 132.59 38.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 72.120000000000005 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.3 123.31 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.420000000000002 110.969 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 134.63 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.409999999999997 110.868 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.71 123.16 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.140000000000001 110.979 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 125.88 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 42.210000000000001 110.898 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.51 117.55 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 64.040000000000006 110.938 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -121.57 122.29 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.299999999999997 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 142.83 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.120000000000005 110.828 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.74 130.82 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 74.530000000000001 110.812 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -127.25 128.43 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.129999999999995 110.95 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.64 139.07 53.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 70.319999999999993 111.128 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -140.44 123.84 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.209999999999994 110.863 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.7 136.38 53.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.837 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -127.71 129.36 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -140.17 123.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 61.25 111.112 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.67 ' HB2' HG23 ' K' ' 107' ' ' THR . 1.7 tm0? -153.84 136.86 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.482 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 2.2 p-90 -137.16 140.65 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.915 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.847 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -123.0 131.98 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 110.936 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' MET . . . . . 0.585 ' N ' HD22 ' C' ' 26' ' ' LEU . 1.6 ptt? -126.75 132.46 51.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.310000000000002 110.899 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.33 177.01 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 73.409999999999997 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 65.109999999999999 111.128 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.439999999999998 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.44 150.54 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 110.857 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.0 129.03 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.349999999999994 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' GLY . . . . . 0.423 ' HA3' ' HE2' ' J' ' 127' ' ' MET . . . -141.46 140.15 10.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 45.229999999999997 112.458 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -133.34 140.35 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 72.450000000000003 111.159 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -142.73 122.37 13.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.239999999999995 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.5 139.03 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 61.32 111.078 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.653 ' HA ' HG12 ' J' ' 123' ' ' VAL . 0.0 OUTLIER -130.33 134.82 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 110.836 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -137.92 133.56 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 75.340000000000003 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -138.19 123.42 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 70.400000000000006 110.937 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 135.01 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.892 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 125.11 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.93 125.44 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.964 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.411 HD12 HH11 ' J' ' 117' ' ' ARG . 0.3 OUTLIER -112.76 116.96 30.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.964 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -121.39 122.19 39.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.837 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.47 141.44 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.897 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.557 ' CD ' HD11 ' I' ' 114' ' ' LEU . 6.1 ptm180 -141.14 129.03 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 72.209999999999994 110.801 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -129.48 129.29 44.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.834 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -125.71 138.41 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.430000000000007 111.133 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.19 123.79 15.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 51.439999999999998 110.924 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.4 138.59 54.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 74.120000000000005 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -127.19 129.29 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 64.439999999999998 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' VAL . . . . . 0.757 HG13 ' OG ' ' L' ' 108' ' ' SER . 17.7 t -140.84 126.25 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 64.239999999999995 111.153 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -155.14 132.63 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 2.1 p-90 -138.11 138.94 39.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 70.319999999999993 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.616 HD23 ' OG1' ' J' ' 105' ' ' THR . 3.3 tm? -122.9 131.31 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.847 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -127.14 128.65 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 110.902 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.86 177.26 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 75.019999999999996 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 65.049999999999997 111.166 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.846 0.355 . . . . 64.510000000000005 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -159.9 162.82 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 45.200000000000003 110.841 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -158.46 157.88 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.140000000000001 110.87 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.75 128.5 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 60.049999999999997 112.49 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -120.3 131.34 54.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 63.450000000000003 111.159 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -136.05 120.36 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.239999999999995 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 144.8 50.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 72.030000000000001 111.115 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -141.26 134.8 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.420000000000002 110.838 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.33 121.86 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 72.349999999999994 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.26 122.03 25.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.340000000000003 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.09 141.46 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.299999999999997 110.849 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.86 123.99 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.530000000000001 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.25 124.46 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.049999999999997 110.852 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.01 114.68 26.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 75.219999999999999 110.909 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.83 122.64 44.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 64.230000000000004 110.847 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -134.46 150.35 50.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.129999999999995 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.475 ' HE ' HD22 ' M' ' 114' ' ' LEU . 1.2 ptt85 -144.52 141.7 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 74.129999999999995 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 132.79 39.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.838 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' ALA . . . . . 0.529 ' HB2' ' NZ ' ' K' ' 112' ' ' LYS . . . -130.62 139.36 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.94 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 72.409999999999997 110.88 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -138.24 126.14 22.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 54.350000000000001 110.88 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.65 126.06 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.439999999999998 110.853 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' VAL . . . . . 0.655 HG13 ' OG ' ' K' ' 108' ' ' SER . 46.6 t -130.79 132.15 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 71.530000000000001 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -139.75 118.38 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.030000000000001 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -120.21 131.13 54.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 70.319999999999993 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.609 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.1 tm? -125.19 132.74 52.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.908 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.478 ' H ' HD22 ' E' ' 26' ' ' LEU . 3.4 ptp -130.33 133.26 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.886 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -162.91 173.32 13.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.879 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.129999999999995 111.175 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -159.49 162.38 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.420000000000002 110.857 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -156.75 156.0 32.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.310000000000002 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 131.34 3.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 63.310000000000002 112.46 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -118.3 130.88 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 65.140000000000001 111.125 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.05 124.84 23.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.41 143.41 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 73.129999999999995 111.151 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -135.71 135.14 39.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 62.219999999999999 110.829 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 120.81 12.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 64.310000000000002 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -130.1 123.58 30.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.129999999999995 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.44 138.03 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 64.230000000000004 110.833 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.82 123.73 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 54.240000000000002 110.899 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.17 125.2 36.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 60.219999999999999 110.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' N' ' 117' ' ' ARG . 4.9 mp -114.55 111.87 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 71.319999999999993 110.962 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.37 121.96 40.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.420000000000002 110.912 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -135.54 145.85 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 62.210000000000001 110.825 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -145.65 137.76 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 133.67 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 72.230000000000004 110.836 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 19' ' ' ALA . . . . . 0.656 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.84 141.58 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 54.43 111.102 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -142.91 134.74 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.439999999999998 110.998 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -137.24 129.52 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 50.020000000000003 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.62 125.89 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.53 127.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 111.102 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -143.16 115.43 8.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 73.230000000000004 110.865 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 24.2 t-105 -120.15 128.12 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 110.957 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.507 HD13 ' C ' ' F' ' 26' ' ' LEU . 3.0 tm? -125.8 132.41 52.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 50.020000000000003 110.954 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' F' ' 26' ' ' LEU . 3.4 ptp -132.12 130.2 40.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.439999999999998 110.863 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -164.69 173.05 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.150000000000006 110.898 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 111.186 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.828 0.347 . . . . 73.109999999999999 110.828 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.883 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.33 158.61 34.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.140000000000001 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 4' ' ' GLY . . . . . 0.402 ' CA ' ' HE2' ' O' ' 127' ' ' MET . . . -146.65 128.03 2.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 64.209999999999994 112.425 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -119.74 126.08 50.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 41.32 111.126 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -127.64 112.34 14.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.98 144.29 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 111.172 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.637 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -144.74 134.95 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 74.400000000000006 110.814 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.37 117.43 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 73.510000000000005 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -128.52 124.18 35.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.439999999999998 110.909 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -138.01 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.400000000000006 110.889 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 149.36 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.430000000000007 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.46 139.95 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 73.310000000000002 110.974 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' O' ' 117' ' ' ARG . 0.3 OUTLIER -128.5 123.26 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 72.299999999999997 110.928 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.84 123.05 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.25 110.827 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -132.44 120.07 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 65.109999999999999 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 17' ' ' ARG . . . . . 0.602 ' CD ' HD11 ' P' ' 114' ' ' LEU . 7.4 ptm180 -123.9 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 73.030000000000001 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 129.76 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.239999999999995 110.949 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.219999999999999 111.138 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -140.27 134.88 31.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -140.17 123.43 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.030000000000001 110.899 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -117.88 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.27 129.49 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.150000000000006 111.162 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.53 122.46 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.219999999999999 110.933 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.46 130.86 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.510000000000005 110.916 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.3 124.85 35.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 74.219999999999999 110.886 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.47 131.35 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 55.310000000000002 110.86 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.28 144.02 7.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.530000000000001 110.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 29' ' ' THR . . . . . 0.434 HG23 ' O ' ' M' ' 101' ' ' HIS . 47.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 111.186 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 71.040000000000006 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -160.36 162.09 33.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.540000000000006 110.869 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.23 153.22 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.109999999999999 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.44 129.55 2.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 64.030000000000001 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p -117.6 124.63 49.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 74.120000000000005 111.059 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.219999999999999 110.867 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 7' ' ' THR . . . . . 0.618 HG23 ' HB2' ' P' ' 124' ' ' GLN . 0.7 OUTLIER -121.0 147.03 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 74.230000000000004 111.15 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -138.81 135.24 34.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.040000000000006 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.84 116.2 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 74.049999999999997 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -127.43 125.35 40.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 72.519999999999996 110.929 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -135.59 145.97 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 31.350000000000001 110.831 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -153.02 149.28 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.200000000000003 110.903 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.29 139.21 35.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 71.430000000000007 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 122.5 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 62.140000000000001 110.939 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -124.87 122.64 37.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -131.67 119.74 21.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 61.140000000000001 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.36 138.67 54.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 130.01 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 63.009999999999998 110.868 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.51 137.37 53.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.230000000000004 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.91 135.71 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 62.420000000000002 110.902 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -141.09 123.89 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.400000000000006 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -116.28 130.14 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -131.64 128.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 65.030000000000001 111.147 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.12 117.0 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.1 129.11 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.574 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.4 OUTLIER -130.56 125.68 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 74.439999999999998 110.942 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.47 129.18 46.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.945 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.71 143.58 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 64.129999999999995 110.918 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 29' ' ' THR . . . . . 0.522 HG23 ' HA ' ' P' ' 102' ' ' SER . 41.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.219999999999999 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 101' ' ' HIS . . . . . 0.71 ' N ' HG23 ' A' ' 29' ' ' THR . 12.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.33 . . . . 64.450000000000003 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -164.31 158.57 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.010000000000005 110.907 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -111.1 127.88 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 63.329999999999998 110.975 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.63 139.1 10.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 53.32 112.514 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.792 HG23 ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -132.5 125.0 29.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 73.319999999999993 111.13 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -122.27 117.08 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -119.91 126.18 50.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 111.184 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 98.9 p -132.9 128.81 37.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 72.239999999999995 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -131.22 139.22 49.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 51.210000000000001 110.831 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.3 133.74 39.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.540000000000006 110.951 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -133.65 137.09 45.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 74.219999999999999 110.885 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.76 128.62 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.409999999999997 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -127.34 115.84 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 42.100000000000001 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 74.409999999999997 110.953 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -139.54 119.28 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 65.010000000000005 110.88 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.1 p -135.27 138.57 43.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.329999999999998 110.896 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.96 142.67 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 110.854 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.23 128.52 50.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 63.039999999999999 110.868 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.05 122.92 23.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 65.439999999999998 111.143 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -144.26 122.04 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 64.120000000000005 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -127.8 122.33 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -137.28 141.87 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 64.120000000000005 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 8' ' ' SER . 6.3 m -141.72 159.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.5 111.186 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -135.69 141.95 45.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.049999999999997 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -142.39 115.12 8.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 71.340000000000003 110.918 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.41 ' C ' HD23 ' I' ' 126' ' ' LEU . 1.8 tt -121.98 136.31 54.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.931 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 127' ' ' MET . . . . . 0.405 ' HE1' ' HA3' ' A' ' 4' ' ' GLY . 1.7 mmt -131.5 123.96 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 70.439999999999998 110.858 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -122.18 130.38 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.219999999999999 110.909 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 129' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 2' ' ' SER . 5.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.829 0.347 . . . . 75.310000000000002 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -165.57 156.76 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.846 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.82 126.34 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 110.87 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 104' ' ' GLY . . . . . 0.526 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -137.03 136.62 8.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 74.239999999999995 112.4 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 105' ' ' THR . . . . . 0.616 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.7 OUTLIER -132.69 122.29 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 64.310000000000002 111.163 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -123.68 115.78 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 63.25 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -120.32 125.83 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.219999999999999 111.097 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 108' ' ' SER . . . . . 0.43 ' HB2' HG22 ' B' ' 23' ' ' VAL . 98.1 p -134.18 124.79 26.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.95 141.68 47.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 71.409999999999997 110.874 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.62 135.36 44.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -129.47 138.81 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 64.409999999999997 110.903 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 129.34 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.430000000000007 110.902 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -125.16 115.4 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.955 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -118.94 136.65 53.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 53.100000000000001 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.89 119.51 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.865 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.2 p -136.9 136.05 38.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 53.149999999999999 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 117' ' ' ARG . . . . . 0.411 HH11 HD12 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -144.69 141.33 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.219999999999999 110.932 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -124.39 130.72 53.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.109999999999999 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.42 125.36 34.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.030000000000001 111.134 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.48 123.68 16.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.450000000000003 110.896 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -130.75 122.41 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.010000000000005 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.29 139.37 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 72.209999999999994 110.85 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.8 m -142.3 156.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.230000000000004 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -137.8 144.09 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.200000000000003 110.982 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.21 118.77 11.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -120.66 137.45 54.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 73.310000000000002 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 127' ' ' MET . . . . . 0.423 ' HE2' ' HA3' ' D' ' 4' ' ' GLY . 1.8 mmt -130.35 125.67 35.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 72.319999999999993 110.881 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.04 130.11 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 42.100000000000001 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.162 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 74.540000000000006 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 91.7 p -149.82 169.47 21.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.150000000000006 110.903 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.96 126.96 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.209999999999994 110.878 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.539 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -138.67 137.36 8.65 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.713 -0.756 . . . . 73.299999999999997 112.493 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.847 ' HB ' HD23 ' C' ' 26' ' ' LEU . 10.8 t -126.66 128.43 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 75.200000000000003 111.196 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 106' ' ' PHE . . . . . 0.482 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 23.5 t80 -120.68 119.99 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.400000000000006 110.865 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 107' ' ' THR . . . . . 0.67 HG23 ' HB2' ' C' ' 24' ' ' GLN . 2.5 m -126.36 124.87 41.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 71.510000000000005 111.106 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 108' ' ' SER . . . . . 0.655 ' OG ' HG13 ' E' ' 23' ' ' VAL . 7.9 m -143.09 144.66 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 61.420000000000002 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.1 144.86 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.130000000000003 110.93 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -130.81 132.07 45.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 73.409999999999997 110.993 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -129.84 134.73 47.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 63.009999999999998 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 112' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -135.6 134.73 39.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 73.040000000000006 110.947 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -136.49 117.06 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 72.209999999999994 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.89 131.5 56.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.932 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.41 113.99 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 63.530000000000001 110.857 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.85 126.98 37.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 72.150000000000006 110.867 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' K' ' 119' ' ' ALA . 7.9 ptm180 -130.98 133.25 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 110.832 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.18 127.13 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 119' ' ' ALA . . . . . 0.478 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -134.04 123.39 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 71.239999999999995 111.077 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.72 126.47 16.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.030000000000001 110.893 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.81 136.39 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.845 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.33 145.3 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.9 m -142.38 150.57 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 44.509999999999998 111.165 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.05 139.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.129999999999995 110.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -132.44 134.47 45.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.99 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.698 HD21 ' OD1' ' K' ' 128' ' ' ASN . 7.3 tt -139.26 136.26 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 62.43 110.885 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -138.33 123.58 19.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 110.856 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 128' ' ' ASN . . . . . 0.698 ' OD1' HD21 ' K' ' 126' ' ' LEU . 2.2 m120 -124.28 134.72 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 72.040000000000006 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.019999999999996 111.199 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.807 0.337 . . . . 71.5 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 171.76 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 64.040000000000006 110.834 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.54 125.39 54.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 63.439999999999998 110.962 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.413 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -139.83 136.17 7.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 72.549999999999997 112.521 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.431 ' HB ' HD23 ' F' ' 26' ' ' LEU . 10.5 t -129.83 127.72 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 75.319999999999993 111.092 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -119.16 120.46 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.530000000000001 110.83 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -122.08 125.32 45.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 71.319999999999993 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 108' ' ' SER . . . . . 0.757 ' OG ' HG13 ' D' ' 23' ' ' VAL . 7.3 m -144.5 140.97 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 62.25 110.862 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.73 145.82 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 73.150000000000006 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.43 129.9 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.896 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -128.18 134.43 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 52.329999999999998 110.882 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.59 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -135.28 134.96 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 51.219999999999999 110.922 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -134.32 116.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.340000000000003 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -117.73 131.19 56.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 72.450000000000003 110.889 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.05 113.94 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.409999999999997 110.858 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.8 124.79 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.832 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.56 129.6 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 72.340000000000003 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 127.18 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 63.229999999999997 110.835 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.62 125.77 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 111.09 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.86 127.1 21.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.959 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.42 139.39 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.510000000000005 110.942 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -143.98 142.67 30.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.319999999999993 110.897 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.76 146.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 73.140000000000001 111.098 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.87 139.14 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -132.66 136.61 46.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.669 HD13 HD13 ' K' ' 126' ' ' LEU . 5.9 tt -139.02 135.64 34.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.450000000000003 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -135.6 125.41 25.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 128' ' ' ASN . . . . . 0.632 ' OD1' HD21 ' L' ' 126' ' ' LEU . 2.1 m120 -124.25 136.06 53.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 110.879 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.109999999999999 111.184 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' M' M ' 101' ' ' HIS . . . . . 0.434 ' O ' HG23 ' G' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.338 . . . . 72.109999999999999 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 142.12 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -103.79 127.11 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.929 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.514 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -139.62 139.08 9.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 75.200000000000003 112.517 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.609 ' HB ' HD23 ' E' ' 26' ' ' LEU . 3.3 t -131.82 127.2 36.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 71.239999999999995 111.143 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -121.47 124.8 45.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 72.400000000000006 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 120.58 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.439999999999998 111.129 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.84 128.22 46.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.859 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.23 119.16 23.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 74.340000000000003 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.41 129.19 56.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.129999999999995 110.919 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -133.4 134.54 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 65.409999999999997 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.95 133.52 33.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 72.400000000000006 110.916 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.1 122.23 23.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.099999999999994 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -123.59 131.86 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 75.109999999999999 110.927 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.68 109.56 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.843 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 122.12 28.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.899 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 134.63 47.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.871 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.88 128.64 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 63.219999999999999 110.892 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.87 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.510000000000005 111.098 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.95 124.5 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.914 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -126.57 120.28 29.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 72.129999999999995 110.897 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -138.33 143.5 39.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 73.349999999999994 110.979 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.4 m -142.78 154.13 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.03 143.42 50.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -144.14 126.01 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.299999999999997 110.906 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' N' ' 126' ' ' LEU . 5.5 tt -131.49 129.26 40.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.48 128.69 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 70.120000000000005 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -131.64 134.61 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 62.130000000000003 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.136 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' N' N ' 101' ' ' HIS . . . . . 0.405 ' CG ' ' HG1' ' H' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.344 . . . . 74.239999999999995 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 141.76 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 62.520000000000003 110.78 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.04 125.06 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 70.219999999999999 110.851 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.574 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.67 137.87 8.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 54.030000000000001 112.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 105' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' F' ' 26' ' ' LEU . 3.9 t -130.35 130.93 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 73.019999999999996 111.17 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -119.18 130.01 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.329999999999998 110.91 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.61 118.24 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.340000000000003 111.178 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 124.52 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 63.25 110.916 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.51 120.11 22.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.14 127.39 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 50.539999999999999 110.93 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 13.2 m -133.95 135.35 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.349999999999994 110.786 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.656 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.6 OUTLIER -140.61 133.65 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 63.329999999999998 110.923 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -133.64 123.53 25.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -124.12 133.65 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.319999999999993 110.881 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.75 110.15 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.549999999999997 110.883 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.16 122.47 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.861 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 117' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -131.29 134.91 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.209999999999994 110.886 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.36 130.89 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.409999999999997 110.867 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.65 42.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 51.119999999999997 111.08 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -137.0 125.59 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.329999999999998 110.868 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -129.28 120.91 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.409999999999997 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -137.06 143.64 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 70.099999999999994 110.894 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.84 151.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 75.120000000000005 111.14 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.63 144.75 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.349999999999994 110.952 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -142.5 128.8 19.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 62.020000000000003 110.907 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' M' ' 126' ' ' LEU . 4.3 tt -129.46 129.47 44.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.420000000000002 110.956 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.16 133.18 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.519999999999996 110.867 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.95 132.92 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 63.420000000000002 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.120000000000005 111.127 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m170 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.735 0.302 . . . . 65.400000000000006 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 44.6 m -76.52 138.85 40.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 110.848 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.65 140.58 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 62.350000000000001 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.28 140.45 8.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 62.299999999999997 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.9 t -132.41 135.0 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 111.165 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -128.87 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 62.409999999999997 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 127.8 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.319999999999993 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.9 126.85 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 110.931 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -129.01 115.45 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 73.209999999999994 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -111.77 129.5 56.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.86 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.11 134.64 36.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 65.310000000000002 110.873 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 135.37 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 71.400000000000006 110.84 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.84 126.1 29.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.936 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' P' ' 114' ' ' LEU . 0.2 OUTLIER -129.76 123.17 30.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 43.509999999999998 110.905 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.78 114.27 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.852 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.0 124.35 30.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 64.140000000000001 110.797 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' G' ' 14' ' ' LEU . 7.7 ptm180 -130.7 138.9 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.430000000000007 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.13 136.44 52.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 70.120000000000005 110.916 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 124.05 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.349999999999994 111.101 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -131.99 122.59 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.510000000000005 110.868 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -134.39 121.59 21.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 75.439999999999998 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.55 143.04 39.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 71.310000000000002 110.888 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' G' ' 8' ' ' SER . 13.8 m -141.0 159.56 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 75.420000000000002 111.162 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -137.48 137.44 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.319999999999993 110.898 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 122.86 22.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 71.450000000000003 110.924 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' P' ' 126' ' ' LEU . 8.4 tt -123.75 130.86 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.230000000000004 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.402 ' HE2' ' CA ' ' G' ' 4' ' ' GLY . 5.6 mmt -127.03 125.2 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.902 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -126.91 131.99 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 64.510000000000005 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.319999999999993 111.161 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 73.349999999999994 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 102' ' ' SER . . . . . 0.522 ' HA ' HG23 ' H' ' 29' ' ' THR . 45.1 m -75.37 139.11 42.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.099999999999994 110.794 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -120.28 139.98 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.15 7.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 44.140000000000001 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 105' ' ' THR . . . . . 0.413 HG22 ' HB3' ' H' ' 26' ' ' LEU . 4.8 t -129.57 136.88 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 64.219999999999999 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -130.08 127.83 40.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.450000000000003 110.917 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.29 127.09 45.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 72.040000000000006 111.132 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.05 127.08 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 44.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -128.73 114.81 17.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 71.540000000000006 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.92 129.25 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 75.310000000000002 110.945 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.26 134.41 36.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 54.109999999999999 110.86 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.32 134.97 36.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.409999999999997 110.956 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.12 126.13 31.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 64.540000000000006 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -128.65 123.81 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 74.439999999999998 110.942 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.32 113.08 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 65.340000000000003 110.916 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.17 127.28 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 73.010000000000005 110.877 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 117' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' P' ' 119' ' ' ALA . 7.6 ptm180 -129.95 140.11 50.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.209999999999994 110.89 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.6 138.24 54.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.210000000000001 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -133.2 123.23 25.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 111.128 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -132.53 123.21 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.329999999999998 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -138.51 119.43 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.310000000000002 110.91 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -138.8 142.53 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 53.210000000000001 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 17.7 m -142.72 156.37 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.549999999999997 111.112 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 124' ' ' GLN . . . . . 0.618 ' HB2' HG23 ' H' ' 7' ' ' THR . 0.2 OUTLIER -139.75 134.87 32.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 71.209999999999994 110.892 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.79 123.55 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.530000000000001 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' O' ' 126' ' ' LEU . 8.8 tt -122.36 132.67 54.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.907 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 127' ' ' MET . . . . . 0.404 ' N ' HD23 ' P' ' 126' ' ' LEU . 5.6 mmt -125.45 127.63 46.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.109999999999999 110.915 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -124.7 133.4 53.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 70.319999999999993 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.540000000000006 111.095 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.735 0.303 . . . . 63.310000000000002 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' OG ' HG23 ' I' ' 129' ' ' THR . 0.8 OUTLIER -154.5 160.73 41.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 54.25 110.906 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.23 165.5 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.917 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.46 134.61 4.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 64.519999999999996 112.504 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 p -127.04 122.44 34.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 65.120000000000005 111.153 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.58 112.49 14.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 65.019999999999996 110.812 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 m -127.03 148.14 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 74.430000000000007 111.169 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.612 ' HA ' HG12 ' I' ' 123' ' ' VAL . 10.9 t -143.36 135.15 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 54.539999999999999 110.785 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.98 137.86 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 74.040000000000006 110.904 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -146.1 124.1 12.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.409999999999997 110.917 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 124.75 25.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 65.329999999999998 110.871 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -136.79 130.79 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 75.400000000000006 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.21 150.67 51.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' I' ' 117' ' ' ARG . 3.1 pp -139.08 130.14 26.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.905 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.21 122.27 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.530000000000001 110.906 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.18 138.58 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.219999999999999 110.922 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -137.16 127.53 26.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 72.349999999999994 110.847 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -124.8 121.21 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 65.109999999999999 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.98 139.14 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 35.140000000000001 111.105 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -138.98 124.19 19.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.43 123.34 47.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.340000000000003 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.23 125.25 43.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.019999999999996 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -141.28 130.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.230000000000004 111.155 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.09 149.18 47.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.120000000000005 110.924 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -144.47 132.32 21.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 74.510000000000005 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.748 HD12 ' O ' ' I' ' 104' ' ' GLY . 61.2 tp -124.23 137.67 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 63.020000000000003 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.485 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 3.6 ptp -130.38 135.12 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.209999999999994 110.914 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.01 176.89 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 75.219999999999999 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.145 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.813 0.339 . . . . 62.350000000000001 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.05 161.89 41.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 64.230000000000004 110.879 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.84 162.48 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 110.888 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.07 136.84 5.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 64.319999999999993 112.491 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -124.21 121.49 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 54.210000000000001 111.167 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.35 119.08 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.209999999999994 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.403 HG23 ' HB3' ' J' ' 124' ' ' GLN . 2.4 m -120.19 149.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 60.420000000000002 111.15 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -139.38 135.32 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 72.099999999999994 110.869 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.13 136.85 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 110.936 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -144.46 125.46 14.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 75.430000000000007 110.91 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.29 127.63 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.519999999999996 110.8 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -134.1 134.37 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 74.129999999999995 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.8 147.3 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 71.540000000000006 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.37 126.47 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.92 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.37 122.97 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 73.349999999999994 110.955 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.03 137.45 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 51.109999999999999 110.83 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -136.66 124.54 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.329999999999998 110.822 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.87 122.38 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.824 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -127.29 139.28 53.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.150000000000006 111.109 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -138.95 125.08 20.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 63.229999999999997 110.945 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.52 126.42 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 73.430000000000007 110.845 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -122.98 124.97 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.510000000000005 110.856 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.429 HG13 ' OG ' ' J' ' 108' ' ' SER . 93.6 t -142.27 127.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 55.240000000000002 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 149.89 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.329999999999998 110.919 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -143.47 131.74 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.916 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.44 138.25 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.510000000000005 110.935 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -129.95 135.06 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.209999999999994 110.897 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -155.68 176.83 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 61.100000000000001 111.105 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 72.209999999999994 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.592 ' CB ' HG23 ' K' ' 129' ' ' THR . 1.2 p -154.05 156.05 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 110.918 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.08 150.52 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.009999999999998 110.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLY . . . . . 0.486 ' HA3' ' HE3' ' K' ' 127' ' ' MET . . . -139.96 134.22 6.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 55.020000000000003 112.515 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -125.65 119.75 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 71.150000000000006 111.217 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 113.5 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -127.97 147.31 50.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 70.319999999999993 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.654 ' HA ' HG12 ' K' ' 123' ' ' VAL . 9.1 m -136.16 135.31 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.239999999999995 110.786 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 121.53 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 72.120000000000005 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -124.07 129.65 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 74.420000000000002 110.956 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -134.27 138.91 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 64.409999999999997 110.839 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -148.3 139.44 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 75.140000000000001 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -137.1 136.04 37.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 42.210000000000001 110.916 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 126.86 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 64.040000000000006 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.71 126.22 32.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 72.299999999999997 110.893 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 122.02 18.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.120000000000005 110.881 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.428 ' NE ' HD11 ' L' ' 114' ' ' LEU . 7.8 ptm180 -125.91 136.46 53.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.530000000000001 110.887 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -130.16 136.76 49.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 73.129999999999995 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.25 131.46 45.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.319999999999993 111.076 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.51 124.31 33.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.908 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.79 122.0 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.319999999999993 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -124.13 119.32 29.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.843 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.23 134.36 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 61.25 111.094 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -143.28 127.54 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.25 110.978 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -123.46 128.83 50.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 74.239999999999995 110.914 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.696 HD23 ' O ' ' K' ' 104' ' ' GLY . 0.4 OUTLIER -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.549999999999997 110.937 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 130.1 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.874 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -164.49 154.02 13.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 65.109999999999999 111.187 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 75.439999999999998 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -153.35 156.0 37.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 110.859 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.68 147.3 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.911 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.32 134.45 5.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 45.229999999999997 112.525 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -123.83 118.74 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 72.450000000000003 111.142 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.17 119.25 23.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 64.239999999999995 110.823 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -123.81 146.53 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 61.32 111.1 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.616 ' HA ' HG12 ' J' ' 123' ' ' VAL . 8.7 m -133.48 135.57 44.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.450000000000003 110.84 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.55 119.17 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 110.871 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -124.09 129.5 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.400000000000006 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -133.86 140.52 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.037 -0.529 . . . . 64.400000000000006 110.864 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -144.86 140.39 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -135.61 135.9 40.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 74.310000000000002 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 126.27 35.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.133 -0.485 . . . . 73.319999999999993 110.898 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.05 126.99 35.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 71.120000000000005 110.785 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 119.4 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 74.310000000000002 110.925 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -124.56 133.8 53.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -133.57 137.17 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.5 131.92 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 111.091 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.65 125.04 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 51.439999999999998 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.01 123.8 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.37 118.66 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 64.439999999999998 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.88 133.43 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 64.239999999999995 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLN . . . . . 0.526 ' HB3' HG23 ' L' ' 107' ' ' THR . 1.5 tp-100 -143.15 127.7 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 110.885 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -125.5 131.11 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 70.319999999999993 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' J' ' 105' ' ' THR . 0.4 OUTLIER -132.33 139.99 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.913 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.9 129.55 20.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.877 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -165.31 154.12 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.019999999999996 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 65.049999999999997 111.104 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 64.510000000000005 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.93 156.1 41.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 45.200000000000003 110.893 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -157.2 140.36 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.0 128.23 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 60.049999999999997 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 5.8 p -121.62 122.28 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.329 . . . . 63.450000000000003 111.185 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.93 112.69 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 75.239999999999995 110.843 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -128.88 148.9 50.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.030000000000001 111.126 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.636 ' HA ' HG12 ' M' ' 123' ' ' VAL . 68.8 m -141.22 135.32 30.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 72.420000000000002 110.838 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.21 119.7 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 110.873 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -123.48 122.86 39.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 63.340000000000003 110.919 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 140.66 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.299999999999997 110.927 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -152.69 135.2 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.530000000000001 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -131.15 135.53 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.049999999999997 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 115.0 18.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.219999999999999 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.22 122.69 43.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 64.230000000000004 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.35 119.0 20.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.129999999999995 110.851 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.492 HH11 HD11 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -131.3 139.53 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 74.129999999999995 110.856 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.9 145.69 42.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.798 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.5 143.34 50.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 111.071 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.35 134.01 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.409999999999997 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -139.93 136.69 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 54.350000000000001 110.799 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.26 118.34 23.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 74.439999999999998 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.09 116.24 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.530000000000001 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' GLN . . . . . 0.791 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.0 OUTLIER -147.45 139.13 24.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.030000000000001 110.982 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 25' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.2 p-90 -141.74 140.55 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 70.319999999999993 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 HG23 ' M' ' 105' ' ' THR . 2.3 tm? -127.45 127.3 43.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.953 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.569 ' N ' HD22 ' E' ' 26' ' ' LEU . 0.6 OUTLIER -120.05 131.35 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.299999999999997 110.844 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -163.98 154.25 15.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 73.340000000000003 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' THR . . . . . 0.525 HG22 ' HB3' ' K' ' 102' ' ' SER . 18.6 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.99 156.24 41.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 73.420000000000002 110.85 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -153.65 136.14 15.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 72.310000000000002 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 128.41 4.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 63.310000000000002 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 5' ' ' THR . . . . . 0.672 HG22 HD12 ' N' ' 126' ' ' LEU . 7.7 p -119.95 121.51 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 65.140000000000001 111.128 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.43 117.55 19.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 110.915 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 24.4 m -124.6 149.24 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.129999999999995 111.088 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.415 ' HA ' HG12 ' L' ' 123' ' ' VAL . 68.7 m -137.83 135.41 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.219999999999999 110.939 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.55 117.11 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.310000000000002 110.795 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -123.09 123.38 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.129999999999995 110.968 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.91 139.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 64.230000000000004 110.862 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -148.44 137.07 21.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 54.240000000000002 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -130.7 134.06 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 60.219999999999999 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.84 116.23 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 71.319999999999993 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.9 122.76 41.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 110.912 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.33 119.87 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 62.210000000000001 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.5 137.68 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 74.420000000000002 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -138.74 143.06 38.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -129.63 140.39 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 54.43 111.074 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.87 135.56 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 110.936 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.020000000000003 110.851 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -125.95 117.45 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.804 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.35 118.33 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 111.13 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.07 134.4 19.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 110.883 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' TRP . . . . . 0.456 ' CZ3' ' HE1' ' F' ' 27' ' ' MET . 1.6 p-90 -139.96 140.42 36.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.944 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.654 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.3 tm? -123.84 128.01 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.020000000000003 110.882 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 27' ' ' MET . . . . . 0.456 ' HE1' ' CZ3' ' F' ' 25' ' ' TRP . 0.9 OUTLIER -123.24 129.89 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.871 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -164.94 153.84 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.888 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' THR . . . . . 0.443 HG22 ' HB3' ' N' ' 102' ' ' SER . 19.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.510000000000005 111.146 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.337 . . . . 73.109999999999999 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' SER . . . . . 0.567 ' HB3' HG23 ' O' ' 129' ' ' THR . 34.3 p -174.57 160.09 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.129999999999995 110.909 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -159.0 138.35 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 128.24 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 64.209999999999994 112.53 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -121.69 119.28 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 41.32 111.128 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -128.45 121.77 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.329999999999998 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -134.23 143.14 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 111.052 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.625 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.2 t -133.7 135.21 43.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.896 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.91 115.67 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.510000000000005 110.857 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -121.02 121.46 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.981 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -129.76 143.2 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.400000000000006 110.801 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -157.04 137.51 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 71.430000000000007 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -135.35 140.03 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.935 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.58 123.14 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.299999999999997 110.94 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -125.8 124.57 41.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.924 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 126.55 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 65.109999999999999 110.833 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 17' ' ' ARG . . . . . 0.558 ' NH1' HD13 ' O' ' 114' ' ' LEU . 7.2 ptm180 -131.46 139.59 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 73.030000000000001 110.85 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.74 138.19 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.239999999999995 110.88 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.43 139.33 50.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 72.219999999999999 111.136 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.22 134.09 28.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.93 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.55 134.54 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 71.030000000000001 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.25 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 23' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' M' ' 106' ' ' PHE . 24.2 t -137.96 133.54 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.150000000000006 111.11 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.54 130.67 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 52.219999999999999 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 130.32 44.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 71.510000000000005 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.55 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.2 tm? -128.28 132.18 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 74.219999999999999 110.915 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.417 ' H ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -134.13 129.81 36.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 55.310000000000002 110.942 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.45 162.58 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 64.530000000000001 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 74.010000000000005 111.117 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 71.040000000000006 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -173.82 161.39 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.540000000000006 110.844 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -155.36 133.46 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.923 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 128.76 5.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 64.030000000000001 112.539 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 5' ' ' THR . . . . . 0.843 HG22 HD12 ' P' ' 126' ' ' LEU . 16.1 p -120.68 119.88 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 74.120000000000005 111.097 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -127.09 125.51 41.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -129.75 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 111.093 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -130.84 134.94 47.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.040000000000006 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.1 112.96 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.049999999999997 110.886 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -121.31 121.21 37.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 72.519999999999996 110.962 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -128.72 142.15 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 31.350000000000001 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -152.61 139.27 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.200000000000003 110.879 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -133.21 138.28 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.04 120.06 24.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 62.140000000000001 110.905 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -126.48 123.14 37.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 110.863 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 124.16 25.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 61.140000000000001 110.86 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 17' ' ' ARG . . . . . 0.592 ' NH1' HD13 ' N' ' 114' ' ' LEU . 6.8 ptm180 -131.59 136.49 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.150000000000006 110.847 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.24 137.98 44.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 63.009999999999998 110.827 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.99 140.07 51.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 71.230000000000004 111.05 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.57 133.96 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 62.420000000000002 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.97 132.53 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 73.400000000000006 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.79 137.67 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.48 129.99 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.030000000000001 111.097 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -141.21 129.0 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.944 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.21 128.76 38.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 71.519999999999996 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.491 HD13 ' C ' ' H' ' 26' ' ' LEU . 3.1 tm? -129.06 132.4 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 74.439999999999998 110.961 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 27' ' ' MET . . . . . 0.48 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -135.59 128.48 31.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.842 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -165.18 164.93 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.129999999999995 110.841 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 65.219999999999999 111.161 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 64.450000000000003 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.33 166.69 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.010000000000005 110.84 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.1 127.35 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 63.329999999999998 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 104' ' ' GLY . . . . . 0.748 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -135.31 138.99 10.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 53.32 112.448 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.704 HG23 HD13 ' A' ' 26' ' ' LEU . 1.1 m -128.97 119.19 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 73.319999999999993 111.142 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -116.57 126.33 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 110.855 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.4 122.87 34.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.430000000000007 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -130.76 128.12 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 110.825 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -142.56 136.01 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 51.210000000000001 110.858 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -133.59 130.89 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.983 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.46 134.68 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.874 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 128.79 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 63.409999999999997 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -134.84 125.14 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 42.100000000000001 110.917 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 137.86 54.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.409999999999997 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -140.01 117.18 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 110.887 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 27.3 m -120.78 133.67 55.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 64.329999999999998 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 117' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -135.68 124.45 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 110.892 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -129.35 125.39 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 63.039999999999999 110.879 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.15 123.69 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 65.439999999999998 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -130.37 128.24 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.120000000000005 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.91 133.31 41.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 63.219999999999999 110.809 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -146.03 143.96 29.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 64.120000000000005 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 8' ' ' SER . 10.1 m -141.1 155.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 74.5 111.11 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.02 135.08 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.049999999999997 110.872 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -136.49 113.45 10.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 71.340000000000003 110.938 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' J' ' 126' ' ' LEU . 4.4 tt -121.73 130.78 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 73.099999999999994 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.5 129.16 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 70.439999999999998 110.871 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.05 139.84 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 65.219999999999999 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 129' ' ' THR . . . . . 0.403 HG23 ' OG ' ' A' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 64.439999999999998 111.063 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 22.8 m170 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.795 0.331 . . . . 75.310000000000002 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.2 166.68 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.79 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.4 125.9 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 74.230000000000004 110.928 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 104' ' ' GLY . . . . . 0.476 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -135.2 137.68 9.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 74.239999999999995 112.488 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 105' ' ' THR . . . . . 0.698 HG23 ' HG ' ' D' ' 26' ' ' LEU . 1.2 m -129.05 119.3 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 64.310000000000002 111.122 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -117.75 126.1 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.25 110.867 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.38 121.48 32.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.112 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 108' ' ' SER . . . . . 0.429 ' OG ' HG13 ' B' ' 23' ' ' VAL . 1.6 m -133.3 124.76 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.941 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -144.15 139.78 29.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 71.409999999999997 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -131.05 130.04 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.2 135.04 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.409999999999997 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -135.89 128.09 29.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 74.430000000000007 110.902 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -133.24 126.23 31.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 74.099999999999994 110.949 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.02 139.63 53.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 53.100000000000001 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -137.08 119.56 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 73.409999999999997 110.852 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 27.0 m -122.27 130.6 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 53.149999999999999 110.843 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.89 125.37 23.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -130.05 128.74 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.109999999999999 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.03 126.26 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.030000000000001 111.108 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -132.93 127.16 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 75.450000000000003 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.23 134.97 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.010000000000005 110.846 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -146.12 139.25 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.209999999999994 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' D' ' 8' ' ' SER . 13.9 m -141.65 154.54 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.230000000000004 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 124' ' ' GLN . . . . . 0.403 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.7 OUTLIER -133.12 138.58 46.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.200000000000003 110.947 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -130.76 115.87 17.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' I' ' 126' ' ' LEU . 4.1 tt -119.97 131.04 55.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.44 133.99 51.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 72.319999999999993 110.901 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.84 138.05 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 42.100000000000001 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.129 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 60.4 m170 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 74.540000000000006 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 102' ' ' SER . . . . . 0.525 ' HB3' HG22 ' E' ' 29' ' ' THR . 5.9 p -119.05 161.62 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.150000000000006 110.937 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.11 128.93 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.932 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.696 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -137.49 137.5 8.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 73.299999999999997 112.463 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.4 t -133.9 136.28 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 75.200000000000003 111.128 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -132.58 114.53 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.400000000000006 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.510000000000005 111.182 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 124.64 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 61.420000000000002 110.829 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.49 132.18 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 54.130000000000003 110.965 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -131.14 127.65 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 73.409999999999997 110.93 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -126.92 134.14 50.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 63.009999999999998 110.974 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 133.93 44.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.040000000000006 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -133.69 115.98 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.209999999999994 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.32 120.96 39.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.529 . . . . 74.420000000000002 110.904 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -129.23 113.25 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 63.530000000000001 110.888 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -129.45 131.4 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.150000000000006 110.855 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.498 HH22 ' HB2' ' K' ' 119' ' ' ALA . 7.3 ptm180 -140.26 143.36 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.109999999999999 110.833 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.53 140.53 44.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.209999999999994 110.905 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 119' ' ' ALA . . . . . 0.498 ' HB2' HH22 ' K' ' 117' ' ' ARG . . . -137.44 123.67 20.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 71.239999999999995 111.118 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -134.41 129.15 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 71.030000000000001 110.957 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.27 129.96 32.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.120000000000005 110.857 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -140.8 144.94 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.349999999999994 110.886 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.9 m -140.81 154.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 44.509999999999998 111.1 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -126.34 130.57 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.129999999999995 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -133.36 111.04 10.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.556 HD21 ' OD1' ' K' ' 128' ' ' ASN . 1.2 tt -121.06 129.99 53.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 62.43 110.993 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 127' ' ' MET . . . . . 0.486 ' HE3' ' HA3' ' C' ' 4' ' ' GLY . 0.0 OUTLIER -125.56 125.04 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 73.439999999999998 110.904 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' K' K ' 128' ' ' ASN . . . . . 0.556 ' OD1' HD21 ' K' ' 126' ' ' LEU . 2.9 m120 -128.15 134.41 49.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.040000000000006 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 129' ' ' THR . . . . . 0.592 HG23 ' CB ' ' C' ' 2' ' ' SER . 3.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 71.5 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.57 162.64 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 64.040000000000006 110.853 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 103' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.1 OUTLIER -103.29 126.49 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 63.439999999999998 110.94 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.603 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -136.96 135.66 7.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.653 -0.784 . . . . 72.549999999999997 112.416 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.654 ' HB ' HD23 ' F' ' 26' ' ' LEU . 2.8 t -132.46 129.07 38.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 75.319999999999993 111.137 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' F' ' 25' ' ' TRP . 4.3 t80 -127.77 111.66 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 75.530000000000001 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 107' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 24' ' ' GLN . 0.6 OUTLIER -112.23 125.97 54.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.319999999999993 111.108 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 124.41 23.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -135.12 133.67 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.150000000000006 110.857 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -129.3 127.78 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 73.430000000000007 110.914 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -127.61 135.41 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.329999999999998 110.862 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.82 134.53 46.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.513 . . . . 51.219999999999999 110.878 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -131.84 115.43 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.340000000000003 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -118.79 122.7 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 72.450000000000003 110.901 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.33 114.11 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.409999999999997 110.861 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 84.4 p -129.64 130.43 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.439999999999998 110.86 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.45 HH22 ' HB2' ' L' ' 119' ' ' ALA . 7.6 ptm180 -137.89 143.86 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.824 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.31 140.35 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.229999999999997 110.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 119' ' ' ALA . . . . . 0.45 ' HB2' HH22 ' L' ' 117' ' ' ARG . . . -137.83 124.24 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 111.073 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -135.04 127.54 30.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.08 131.85 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.53 144.67 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.319999999999993 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' F' ' 8' ' ' SER . 14.2 m -140.74 150.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.140000000000001 111.155 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -130.42 133.11 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.420000000000002 110.919 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -129.56 111.97 13.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.537 HD13 HD13 ' K' ' 126' ' ' LEU . 1.2 tt -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 71.450000000000003 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 128.67 47.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.857 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 128' ' ' ASN . . . . . 0.422 ' OD1' HD21 ' L' ' 126' ' ' LEU . 3.0 m120 -125.83 132.77 52.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 54.109999999999999 111.128 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' M' M ' 101' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' E' ' 29' ' ' THR . 5.4 m-70 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.803 0.335 . . . . 72.109999999999999 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 148.98 26.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.230000000000004 110.876 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.79 130.3 53.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 73.409999999999997 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.496 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 75.200000000000003 112.48 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.645 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -125.84 132.34 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 71.239999999999995 111.089 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 106' ' ' PHE . . . . . 0.662 ' CZ ' HG13 ' G' ' 23' ' ' VAL . 35.7 t80 -129.03 127.0 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.918 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 107' ' ' THR . . . . . 0.791 HG22 ' HG3' ' E' ' 24' ' ' GLN . 11.3 p -133.35 116.2 15.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 111.148 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 28.0 t -133.16 134.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.91 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -131.61 143.37 50.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.340000000000003 110.793 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -131.24 140.98 49.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.129999999999995 110.928 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -146.63 134.23 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 110.852 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 133.24 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 72.400000000000006 110.866 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -125.24 115.09 19.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.099999999999994 110.853 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -120.23 121.57 39.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 75.109999999999999 110.898 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -132.61 111.12 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.129999999999995 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 75.0 m -127.17 126.6 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.905 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.87 138.55 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.822 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -126.92 140.19 52.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.219999999999999 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.78 123.18 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 70.510000000000005 111.074 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.86 126.23 24.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.967 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.68 128.25 28.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 72.129999999999995 110.934 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.7 142.98 38.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 73.349999999999994 110.899 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.636 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.5 m -140.58 154.7 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 72.530000000000001 111.104 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.05 134.84 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.299999999999997 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -138.92 112.36 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.299999999999997 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.456 HD21 ' OD1' ' M' ' 128' ' ' ASN . 0.4 OUTLIER -126.71 134.54 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.099999999999994 110.887 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.71 124.18 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.120000000000005 110.881 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 128' ' ' ASN . . . . . 0.456 ' OD1' HD21 ' M' ' 126' ' ' LEU . 7.1 m120 -126.0 140.74 52.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 62.130000000000003 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.168 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.719 0.295 . . . . 74.239999999999995 110.814 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 102' ' ' SER . . . . . 0.443 ' HB3' HG22 ' F' ' 29' ' ' THR . 5.0 p -84.29 148.99 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.520000000000003 110.874 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.81 126.54 52.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 70.219999999999999 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.01 135.53 7.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.764 . . . . 54.030000000000001 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.9 132.74 43.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 73.019999999999996 111.131 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -126.86 129.49 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.329999999999998 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 15.7 p -129.4 117.47 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.340000000000003 111.191 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -134.07 125.22 27.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 63.25 110.889 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -134.25 144.47 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -133.59 139.64 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 50.539999999999999 110.913 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -143.61 134.81 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.349999999999994 110.851 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -132.88 133.56 43.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 63.329999999999998 110.935 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -126.15 115.2 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 74.230000000000004 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.592 HD13 ' NH1' ' H' ' 17' ' ' ARG . 0.0 OUTLIER -120.01 121.09 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.969 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -134.66 109.73 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 72.549999999999997 110.911 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 75.6 m -125.92 129.88 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 74.329999999999998 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.89 137.09 42.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 64.209999999999994 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 139.74 53.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 70.409999999999997 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.6 124.32 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 51.119999999999997 111.171 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.43 126.9 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 73.329999999999998 110.901 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -137.51 127.58 25.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -136.82 142.25 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 70.099999999999994 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 m -141.07 150.2 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 75.120000000000005 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -131.8 136.09 47.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 64.349999999999994 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -136.62 115.12 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 62.020000000000003 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.672 HD12 HG22 ' F' ' 5' ' ' THR . 0.5 OUTLIER -124.79 134.71 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 62.420000000000002 110.873 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.8 125.71 36.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 71.519999999999996 110.881 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 128' ' ' ASN . . . . . 0.514 ' ND2' HD21 ' N' ' 126' ' ' LEU . 27.3 m-20 -121.78 139.73 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 63.420000000000002 110.879 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 71.120000000000005 111.086 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.400000000000006 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -75.07 174.84 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 75.420000000000002 110.88 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.19 134.92 54.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 62.350000000000001 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.55 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -146.6 138.54 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.659 -0.781 . . . . 62.299999999999997 112.436 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.493 HG23 HD23 ' G' ' 26' ' ' LEU . 1.0 OUTLIER -133.83 132.02 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 74.430000000000007 111.166 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -128.75 133.62 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 62.409999999999997 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.46 131.17 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.92 136.76 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.109999999999999 110.889 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -134.94 136.77 42.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.209999999999994 110.849 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.52 128.9 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.439999999999998 110.914 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -135.35 135.34 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 65.310000000000002 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 112' ' ' LYS . . . . . 0.627 ' CE ' HD12 ' O' ' 114' ' ' LEU . 16.1 tptt -136.36 133.52 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.400000000000006 110.886 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -131.03 119.66 22.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.931 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.627 HD12 ' CE ' ' O' ' 112' ' ' LYS . 0.0 OUTLIER -123.46 117.33 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 43.509999999999998 110.912 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 111.38 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.874 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -130.03 129.57 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.140000000000001 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' O' ' 119' ' ' ALA . 7.4 ptm180 -137.77 141.62 40.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.430000000000007 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.72 140.78 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.120000000000005 110.823 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 119' ' ' ALA . . . . . 0.544 ' HB2' HH21 ' O' ' 117' ' ' ARG . . . -135.56 123.67 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.349999999999994 111.156 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -137.02 124.39 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.510000000000005 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -134.93 127.29 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -138.38 143.7 39.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.310000000000002 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.5 m -142.05 151.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 111.164 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -130.03 137.42 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -139.58 116.61 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.450000000000003 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.602 HD21 ' OD1' ' O' ' 128' ' ' ASN . 2.6 tt -125.58 132.23 52.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.230000000000004 110.922 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 124.23 38.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.875 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 128' ' ' ASN . . . . . 0.602 ' OD1' HD21 ' O' ' 126' ' ' LEU . 13.0 m120 -123.33 134.83 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 64.510000000000005 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 129' ' ' THR . . . . . 0.567 HG23 ' HB3' ' G' ' 2' ' ' SER . 8.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.319999999999993 111.165 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 73.349999999999994 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 52.5 p -76.66 177.44 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 64.099999999999994 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -116.88 134.95 54.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 72.109999999999999 110.873 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.8 140.06 8.41 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 44.140000000000001 112.518 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.25 136.28 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 64.219999999999999 111.145 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -129.16 133.47 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 64.450000000000003 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.59 130.26 34.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.040000000000006 111.194 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.36 139.14 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 44.0 110.829 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -136.3 136.06 39.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 110.874 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 127.76 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -137.59 134.76 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 54.109999999999999 110.86 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' P' ' 114' ' ' LEU . 16.1 tptt -139.14 132.7 30.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 110.905 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -130.81 120.02 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.540000000000006 110.941 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' P' ' 112' ' ' LYS . 0.0 OUTLIER -122.36 118.25 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.439999999999998 110.844 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.64 109.98 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 65.340000000000003 110.811 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -129.09 131.28 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.010000000000005 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -138.99 140.59 38.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 71.209999999999994 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 141.8 51.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 63.210000000000001 110.82 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.33 123.53 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 62.420000000000002 111.096 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -136.79 126.15 24.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.921 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -137.98 125.56 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 53.310000000000002 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -137.54 143.89 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 53.210000000000001 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.96 150.21 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 54.549999999999997 111.084 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -131.63 136.47 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 71.209999999999994 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -139.44 117.69 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.939 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.843 HD12 HG22 ' H' ' 5' ' ' THR . 2.6 tt -126.1 132.69 51.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 63.439999999999998 110.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.69 125.47 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.109999999999999 110.948 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 128' ' ' ASN . . . . . 0.71 ' ND2' HD21 ' P' ' 126' ' ' LEU . 71.5 m-20 -121.91 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 70.319999999999993 110.953 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 71.540000000000006 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.815 0.34 . . . . 63.310000000000002 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.63 157.23 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.25 110.904 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -156.19 145.88 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 110.943 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.44 128.27 4.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 64.519999999999996 112.536 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -122.55 128.58 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 65.120000000000005 111.147 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -126.07 111.65 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.019999999999996 110.836 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.09 141.15 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.141 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.628 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.9 t -140.29 134.88 31.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 54.539999999999999 110.859 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.76 118.82 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.87 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.72 127.04 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 110.934 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -136.65 136.79 39.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 65.329999999999998 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 138.97 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.400000000000006 110.955 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -133.1 143.75 49.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 75.099999999999994 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' HG3' ' I' ' 117' ' ' ARG . 2.5 tt -138.78 137.54 36.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.903 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.21 122.87 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.530000000000001 110.895 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.11 128.46 50.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.903 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -128.43 130.75 48.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.349999999999994 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -132.27 121.79 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 65.109999999999999 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.07 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 35.140000000000001 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -144.11 123.74 13.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 74.319999999999993 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -118.59 128.59 54.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.340000000000003 110.94 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.51 122.76 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 110.823 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.4 117.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.766 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.4 OUTLIER -134.39 143.64 47.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 110.915 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -156.74 143.03 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 74.510000000000005 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB3' HG23 ' I' ' 105' ' ' THR . 0.5 OUTLIER -134.57 147.96 50.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 63.020000000000003 110.933 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.54 133.69 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 71.209999999999994 110.878 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -136.78 173.28 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 111.187 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 62.350000000000001 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.18 156.71 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 64.230000000000004 110.808 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -155.11 143.03 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.140000000000001 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 130.51 4.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 64.319999999999993 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -122.09 126.21 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 54.210000000000001 111.154 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.5 112.24 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 139.93 49.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.420000000000002 111.127 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -136.65 134.74 37.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 72.099999999999994 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.7 119.78 13.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 64.319999999999993 110.906 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -128.57 128.37 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 75.430000000000007 110.923 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -133.56 138.89 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 74.519999999999996 110.835 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -139.8 138.0 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 74.129999999999995 110.876 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -131.12 142.59 50.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 71.540000000000006 110.98 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -142.01 135.24 29.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.439999999999998 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -142.32 123.04 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.349999999999994 110.896 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 128.58 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 51.109999999999999 110.802 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -125.98 127.46 45.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -135.33 121.22 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 73.25 110.87 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.644 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -122.11 143.19 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 72.150000000000006 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -143.09 124.07 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.903 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.53 131.67 56.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 110.84 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -123.7 120.89 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.510000000000005 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.37 117.58 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 55.240000000000002 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.49 148.81 49.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.329999999999998 110.876 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -152.63 134.51 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.973 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.63 148.79 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 75.510000000000005 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.5 133.53 48.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 110.882 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -136.59 172.38 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 70.239999999999995 110.931 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 61.100000000000001 111.119 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 72.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.29 155.35 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 51.539999999999999 110.9 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.32 145.04 21.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 63.009999999999998 110.962 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLY . . . . . 0.436 ' HA3' ' HE2' ' K' ' 127' ' ' MET . . . -137.17 128.31 4.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 55.020000000000003 112.501 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -121.84 125.82 47.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 71.150000000000006 111.16 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.02 111.49 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.109999999999999 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 139.84 50.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 70.319999999999993 111.155 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' K' ' 123' ' ' VAL . 6.3 m -140.03 134.87 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.239999999999995 110.835 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 120.51 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 72.120000000000005 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -130.38 123.51 30.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.911 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.05 136.69 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 64.409999999999997 110.849 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LYS . . . . . 0.433 ' HD3' HD11 ' C' ' 14' ' ' LEU . 0.0 OUTLIER -138.95 138.41 37.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.912 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -132.49 138.0 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 42.210000000000001 110.968 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.1 OUTLIER -132.53 130.55 40.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.040000000000006 110.966 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.27 123.01 24.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 110.824 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.94 119.89 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.893 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.77 132.86 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 74.530000000000001 110.881 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -132.33 132.01 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HE2' ' I' ' 112' ' ' LYS . . . -130.96 140.32 50.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.319999999999993 111.111 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -146.24 123.29 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -124.42 139.25 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.319999999999993 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.82 131.44 49.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.947 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.44 117.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 61.25 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.19 135.53 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.914 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.401 ' NE1' ' HB3' ' K' ' 106' ' ' PHE . 6.1 p-90 -139.86 148.91 42.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' K' ' 105' ' ' THR . 0.1 OUTLIER -126.91 148.73 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.549999999999997 110.832 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.24 130.66 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.310000000000002 110.829 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.55 153.95 17.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 65.109999999999999 111.194 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.822 0.344 . . . . 75.439999999999998 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.25 154.84 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.916 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -154.0 141.45 19.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 72.349999999999994 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 130.43 4.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 45.229999999999997 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -121.51 123.49 42.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 72.450000000000003 111.115 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -123.99 112.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 64.239999999999995 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.62 138.41 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.32 111.165 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' J' ' 123' ' ' VAL . 6.0 m -135.84 134.96 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.39 119.86 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 75.340000000000003 110.802 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -130.88 123.23 28.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 70.400000000000006 110.917 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.17 138.85 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 64.400000000000006 110.889 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' LYS . . . . . 0.695 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -136.12 138.26 41.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 74.239999999999995 110.969 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 13' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 11.0 t80 -132.28 136.11 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 74.310000000000002 110.961 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.695 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.3 OUTLIER -134.62 130.08 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 73.319999999999993 110.922 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.85 124.31 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.120000000000005 110.867 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.94 119.29 27.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.889 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.543 ' NE ' HD11 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -122.85 131.4 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.209999999999994 110.877 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -135.1 131.99 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.409999999999997 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.32 139.02 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.430000000000007 111.062 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.68 123.37 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 51.439999999999998 110.896 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -121.42 141.41 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.120000000000005 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -126.71 132.3 51.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.66 121.03 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 64.239999999999995 111.179 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 135.44 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.400000000000006 110.854 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -140.75 140.5 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 70.319999999999993 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' J' ' 105' ' ' THR . 0.1 OUTLIER -128.37 141.98 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 74.239999999999995 110.918 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.69 126.99 26.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.851 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -166.16 152.89 9.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.019999999999996 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 111.168 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 64.510000000000005 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' SER . . . . . 0.414 ' HB3' HG23 ' M' ' 129' ' ' THR . 0.0 OUTLIER -156.04 158.8 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 45.200000000000003 110.845 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 71.140000000000001 110.866 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.89 3.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 60.049999999999997 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.15 132.53 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 63.450000000000003 111.171 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.32 111.76 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.239999999999995 110.915 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 136.19 53.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.030000000000001 111.169 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.659 ' HA ' HG12 ' M' ' 123' ' ' VAL . 2.9 t -136.97 134.31 36.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 72.420000000000002 110.859 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.12 132.5 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.349999999999994 110.84 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -141.39 127.32 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 63.340000000000003 110.901 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.6 134.94 47.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 75.299999999999997 110.818 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 12' ' ' LYS . . . . . 0.476 ' CE ' HD11 ' E' ' 14' ' ' LEU . 11.4 ptmt -137.58 126.78 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 74.530000000000001 110.875 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.78 124.13 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.049999999999997 110.949 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.754 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.2 OUTLIER -113.54 112.51 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 75.219999999999999 110.909 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -114.05 121.04 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 64.230000000000004 110.9 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 53.6 p -133.75 138.78 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.85 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.4 HH11 HD13 ' M' ' 114' ' ' LEU . 7.4 ptm180 -142.52 139.83 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.869 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.26 132.92 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.879 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.93 139.54 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.439999999999998 111.146 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -146.9 123.52 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 110.976 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.31 135.95 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 54.350000000000001 110.832 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.55 132.5 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.912 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.79 117.76 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.530000000000001 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -151.94 137.45 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 4.4 p-90 -139.03 143.5 38.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.319999999999993 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -120.99 134.45 55.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.573 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.1 ptp -126.79 131.66 51.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.861 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.09 177.12 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.340000000000003 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.129999999999995 111.116 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 73.140000000000001 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.19 157.24 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 110.8 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -151.89 145.38 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 72.310000000000002 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.82 129.38 3.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 63.310000000000002 112.503 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.11 129.95 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 65.140000000000001 111.123 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.74 113.44 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.129999999999995 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 136.42 53.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 111.171 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.55 ' HA ' HG12 ' L' ' 123' ' ' VAL . 2.9 t -132.76 134.66 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 62.219999999999999 110.843 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.19 131.5 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 64.310000000000002 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -141.46 127.0 18.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.915 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.74 132.9 44.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.230000000000004 110.832 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.598 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 11.3 ptmt -139.81 128.95 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 54.240000000000002 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -129.29 123.07 30.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 60.219999999999999 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.646 HD23 ' HD2' ' L' ' 117' ' ' ARG . 0.4 OUTLIER -112.02 112.84 24.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 110.929 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.36 122.29 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.924 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 53.9 p -133.19 139.64 47.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 62.210000000000001 110.822 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -143.3 138.38 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.829 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -136.37 135.11 38.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 72.230000000000004 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' ALA . . . . . 0.791 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.69 139.74 52.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 54.43 111.113 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.17 124.15 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.439999999999998 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -126.9 137.91 53.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 50.020000000000003 110.814 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.58 135.88 54.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 72.409999999999997 110.844 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.23 121.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 74.150000000000006 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -151.84 136.8 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.230000000000004 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -143.97 142.43 30.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 72.140000000000001 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.626 HD22 ' O ' ' L' ' 104' ' ' GLY . 3.4 tm? -120.76 133.49 55.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 50.020000000000003 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 27' ' ' MET . . . . . 0.471 ' N ' HD13 ' F' ' 26' ' ' LEU . 2.6 ptp -127.8 129.9 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 74.439999999999998 110.883 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.48 177.2 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.150000000000006 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' THR . . . . . 0.683 HG23 ' HA ' ' N' ' 102' ' ' SER . 3.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 111.178 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 73.109999999999999 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.67 153.62 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.884 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 3' ' ' GLN . . . . . 0.524 HE22 HD21 ' N' ' 126' ' ' LEU . 43.9 tt0 -151.61 144.34 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 110.946 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.05 128.35 4.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 64.209999999999994 112.505 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -121.62 131.97 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.3 . . . . 41.32 111.147 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -131.3 111.7 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.329999999999998 110.826 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 134.45 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.319999999999993 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.576 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.7 OUTLIER -130.83 135.22 47.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 74.400000000000006 110.849 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.64 130.42 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 73.510000000000005 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -140.51 134.15 30.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.854 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -124.12 138.83 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 72.400000000000006 110.83 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -134.75 124.06 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 71.430000000000007 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.93 131.69 53.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 110.915 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -129.84 112.4 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.299999999999997 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -123.14 122.45 38.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.12 129.63 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.109999999999999 110.912 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 17' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' P' ' 114' ' ' LEU . 6.9 ptm180 -134.18 138.9 45.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 73.030000000000001 110.898 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -133.92 135.46 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.63 139.17 54.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.219999999999999 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -148.6 124.17 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 73.099999999999994 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.56 128.09 34.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 71.030000000000001 110.891 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.18 133.24 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.340000000000003 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.47 138.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.150000000000006 111.102 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.8 151.95 34.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 52.219999999999999 110.947 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -152.98 131.41 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 71.510000000000005 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' O' ' 105' ' ' THR . 3.3 tm? -121.22 133.47 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.219999999999999 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.428 ' N ' HD13 ' G' ' 26' ' ' LEU . 3.7 ptp -125.94 133.64 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 55.310000000000002 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -160.59 174.83 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 64.530000000000001 110.866 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.010000000000005 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 71.040000000000006 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.12 152.38 34.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.540000000000006 110.872 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -149.93 141.6 23.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 74.109999999999999 110.974 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 131.17 4.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 64.030000000000001 112.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -119.09 129.9 55.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 74.120000000000005 111.108 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.77 112.26 12.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 132.37 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 111.199 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.457 ' HA ' HG12 ' N' ' 123' ' ' VAL . 0.7 OUTLIER -128.24 134.59 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.040000000000006 110.838 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.66 126.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.049999999999997 110.816 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -139.63 131.77 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.519999999999996 110.919 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -126.82 136.93 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 31.350000000000001 110.834 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 12' ' ' LYS . . . . . 0.507 ' HE3' HD11 ' H' ' 14' ' ' LEU . 20.5 ttpt -136.32 126.3 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 72.200000000000003 110.869 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -121.87 133.19 54.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 71.430000000000007 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.507 HD11 ' HE3' ' H' ' 12' ' ' LYS . 3.3 mp -125.68 112.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.140000000000001 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -120.99 122.58 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.842 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.07 128.65 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 61.140000000000001 110.84 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -133.86 135.41 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.150000000000006 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -134.79 134.59 41.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 63.009999999999998 110.881 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.29 138.63 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.230000000000004 111.106 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -146.31 125.58 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 62.420000000000002 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -133.68 129.15 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.400000000000006 110.832 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.08 135.34 54.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.817 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -136.33 136.21 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.030000000000001 111.114 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.46 151.33 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 74.519999999999996 110.93 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 25' ' ' TRP . . . . . 0.48 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 5.8 t90 -160.71 130.06 4.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 71.519999999999996 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.625 HD22 ' O ' ' N' ' 104' ' ' GLY . 3.3 tm? -121.99 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 110.925 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 27' ' ' MET . . . . . 0.48 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 3.2 ptp -125.43 131.69 52.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 110.938 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -162.25 176.55 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.91 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.219999999999999 111.141 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.831 0.348 . . . . 64.450000000000003 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -179.93 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.010000000000005 110.827 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.21 127.1 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 63.329999999999998 110.893 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.77 139.08 13.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 53.32 112.498 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 26' ' ' LEU . 5.7 m -130.77 124.88 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 73.319999999999993 111.123 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -121.9 133.65 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 110.917 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 107' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 24' ' ' GLN . 14.2 m -138.87 120.09 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.113 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 27.4 t -130.53 132.83 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.23 140.62 35.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 51.210000000000001 110.826 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -131.59 127.63 37.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 75.540000000000006 110.966 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.92 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.903 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 112' ' ' LYS . . . . . 0.55 ' NZ ' HD12 ' I' ' 114' ' ' LEU . 0.4 OUTLIER -134.12 128.33 33.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.409999999999997 110.831 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -129.83 124.61 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 42.100000000000001 110.902 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.55 HD12 ' NZ ' ' I' ' 112' ' ' LYS . 0.0 OUTLIER -127.75 126.4 41.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 74.409999999999997 110.922 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.48 112.24 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 65.010000000000005 110.829 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 9.4 t -113.4 139.68 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 64.329999999999998 110.794 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 117' ' ' ARG . . . . . 0.56 ' HG3' HD12 ' A' ' 14' ' ' LEU . 6.0 ttp85 -150.36 139.26 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 74.120000000000005 110.826 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 135.4 29.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.039999999999999 110.836 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.45 123.68 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 111.035 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.5 123.82 28.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 64.120000000000005 110.9 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -132.68 126.05 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 63.219999999999999 110.866 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -142.16 144.9 33.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 110.905 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.7 m -142.77 160.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -139.52 139.04 36.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.049999999999997 110.898 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.55 122.5 24.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 71.340000000000003 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.452 ' C ' HD23 ' I' ' 126' ' ' LEU . 8.9 tt -116.2 125.7 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.406 . . . . 73.099999999999994 110.972 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 3.6 mmt -122.69 124.81 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.902 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.219999999999999 110.942 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.439999999999998 111.117 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 75.310000000000002 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 -179.82 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.895 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.39 127.08 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.891 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.23 138.59 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 74.239999999999995 112.478 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 105' ' ' THR . . . . . 0.434 ' HA ' ' HG ' ' D' ' 26' ' ' LEU . 5.8 m -126.37 122.97 36.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.338 . . . . 64.310000000000002 111.097 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -125.79 137.27 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 13.9 m -138.94 118.64 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.219999999999999 111.15 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 27.3 t -132.56 126.75 33.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 70.420000000000002 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -144.71 143.53 30.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 71.409999999999997 110.894 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.14 127.75 42.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 110.888 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.18 134.5 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.409999999999997 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.644 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 0.4 OUTLIER -133.98 128.46 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.899 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.76 125.57 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.099999999999994 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.603 HD12 ' HZ2' ' J' ' 112' ' ' LYS . 0.0 OUTLIER -129.51 125.47 36.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 53.100000000000001 110.913 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.0 112.19 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 110.862 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 9.3 t -116.21 138.5 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 53.149999999999999 110.86 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 117' ' ' ARG . . . . . 0.537 ' HD2' HD23 ' D' ' 14' ' ' LEU . 5.8 ttp85 -147.87 142.12 26.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 71.219999999999999 110.882 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 118' ' ' ARG . . . . . 0.401 ' HG2' ' HB3' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -144.51 136.7 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 119' ' ' ALA . . . . . 0.439 ' HB3' ' CG ' ' B' ' 12' ' ' LYS . . . -134.14 126.26 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.030000000000001 111.118 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.11 122.71 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.450000000000003 110.958 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -132.55 129.98 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 110.809 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -141.0 143.99 34.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' D' ' 8' ' ' SER . 15.6 m -142.46 158.17 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 64.230000000000004 111.197 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -142.81 139.95 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 71.200000000000003 110.932 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -129.89 123.47 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.449 HD23 ' C ' ' J' ' 126' ' ' LEU . 9.0 tt -118.17 124.73 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.81 127.48 50.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 72.319999999999993 110.821 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -126.4 126.91 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 42.100000000000001 110.895 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 73.140000000000001 111.154 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 74.540000000000006 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 147.55 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.59 127.45 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.209999999999994 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.52 142.66 13.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 73.299999999999997 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.448 ' HB ' HD21 ' C' ' 26' ' ' LEU . 7.0 t -137.29 126.77 25.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 75.200000000000003 111.166 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' NE1' ' C' ' 25' ' ' TRP . 27.8 t80 -125.57 119.78 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.400000000000006 110.832 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -129.94 124.41 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.510000000000005 111.151 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -142.18 147.49 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 61.420000000000002 110.911 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.19 148.7 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 54.130000000000003 110.839 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.79 128.58 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.903 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -125.17 134.48 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.009999999999998 110.897 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 138.47 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -140.74 124.32 16.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 72.209999999999994 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -127.72 129.41 47.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.937 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.08 109.96 11.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 63.530000000000001 110.832 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -115.3 121.35 42.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.150000000000006 110.819 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.679 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.3 OUTLIER -130.42 144.6 51.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.109999999999999 110.874 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.64 138.82 27.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.28 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.239999999999995 111.092 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -129.27 122.11 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 71.030000000000001 110.955 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -127.93 125.37 39.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.120000000000005 110.904 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -141.47 142.59 33.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 73.349999999999994 110.908 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' C' ' 8' ' ' SER . 8.7 m -142.84 157.05 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 44.509999999999998 111.177 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.44 139.31 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 65.129999999999995 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -131.09 121.34 24.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 110.95 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.469 HD23 ' C ' ' K' ' 126' ' ' LEU . 9.6 tt -115.05 124.09 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.926 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 127' ' ' MET . . . . . 0.436 ' HE2' ' HA3' ' C' ' 4' ' ' GLY . 3.9 mmt -121.49 124.87 45.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.843 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.63 129.07 46.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 72.040000000000006 110.881 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.019999999999996 111.189 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 71.5 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.28 148.94 30.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 64.040000000000006 110.815 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 103' ' ' GLN . . . . . 0.428 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.1 OUTLIER -106.91 125.52 51.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 63.439999999999998 110.84 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.626 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -130.4 136.57 8.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.549999999999997 112.48 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.587 ' HB ' HD23 ' F' ' 26' ' ' LEU . 9.8 t -135.0 127.8 31.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.326 . . . . 75.319999999999993 111.169 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -126.12 117.97 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.530000000000001 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -122.24 126.64 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 111.18 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 61.8 p -143.53 141.39 30.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 62.25 110.831 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.01 150.04 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.150000000000006 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.41 127.63 41.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.898 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -123.53 134.58 53.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 52.329999999999998 110.822 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.1 OUTLIER -139.8 140.02 36.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 51.219999999999999 110.947 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -138.9 125.2 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.916 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -126.69 130.0 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.450000000000003 110.932 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.97 110.1 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 63.409999999999997 110.89 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 122.17 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.439999999999998 110.852 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.646 ' HD2' HD23 ' F' ' 14' ' ' LEU . 0.2 OUTLIER -132.2 146.26 51.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 72.340000000000003 110.886 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 118' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -149.36 139.71 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 63.229999999999997 110.858 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.25 123.94 19.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.430000000000007 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -126.09 122.38 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.973 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -128.6 126.62 40.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 110.906 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -138.65 142.35 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 110.892 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' F' ' 8' ' ' SER . 11.9 m -142.46 154.96 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 111.085 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.24 139.76 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 75.420000000000002 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.94 121.75 28.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.329999999999998 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.47 HD23 ' C ' ' L' ' 126' ' ' LEU . 9.7 tt -116.09 123.41 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 71.450000000000003 110.965 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.81 126.43 50.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.439999999999998 110.857 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 128.21 45.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 54.109999999999999 111.075 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 72.109999999999999 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.65 145.37 26.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.808 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 127.46 53.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.86 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.57 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.16 138.66 9.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 75.200000000000003 112.48 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.717 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.7 t -125.81 134.12 51.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 71.239999999999995 111.199 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 106' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 18.3 t80 -124.68 121.96 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.400000000000006 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -128.62 129.08 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 71.439999999999998 111.205 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 68.6 p -147.17 146.83 30.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.209999999999994 110.835 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.37 149.53 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.73 127.78 39.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 72.129999999999995 110.927 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.66 134.75 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 65.409999999999997 110.82 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 141.47 36.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.400000000000006 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -138.74 133.46 32.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.966 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.4 HD13 HH11 ' E' ' 17' ' ' ARG . 0.0 OUTLIER -133.43 129.75 37.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 110.943 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.31 117.55 14.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -131.86 127.64 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.430000000000007 110.881 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 117' ' ' ARG . . . . . 0.754 ' HD2' HD23 ' E' ' 14' ' ' LEU . 8.5 mtp180 -124.97 130.39 52.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.400000000000006 110.851 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 119.34 33.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 63.219999999999999 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.56 123.42 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 111.099 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -132.31 122.27 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.862 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -129.72 128.52 42.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 110.848 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.08 143.59 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.349999999999994 110.897 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' E' ' 8' ' ' SER . 8.3 m -141.49 154.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 111.085 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.24 140.43 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -128.75 130.23 46.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.299999999999997 110.96 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.413 HD23 ' C ' ' M' ' 126' ' ' LEU . 7.5 tt -122.89 125.27 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.099999999999994 110.881 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.32 125.01 44.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 70.120000000000005 110.906 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -128.3 132.31 48.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.130000000000003 110.853 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 129' ' ' THR . . . . . 0.414 HG23 ' HB3' ' E' ' 2' ' ' SER . 6.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.34 . . . . 74.239999999999995 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 102' ' ' SER . . . . . 0.683 ' HA ' HG23 ' F' ' 29' ' ' THR . 2.0 m -87.82 144.96 26.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 62.520000000000003 110.801 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.88 125.0 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.219999999999999 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.625 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -143.68 135.01 6.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.828 -0.701 . . . . 54.030000000000001 112.516 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 105' ' ' THR . . . . . 0.598 ' HB ' HD23 ' H' ' 26' ' ' LEU . 11.1 t -130.44 132.78 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 73.019999999999996 111.181 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -125.29 120.61 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 74.329999999999998 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -126.16 129.18 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.340000000000003 111.11 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 69.5 p -147.88 146.48 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 63.25 110.804 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -146.12 150.31 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.319999999999993 110.886 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.71 127.05 41.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 50.539999999999999 110.977 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.72 134.59 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 74.349999999999994 110.827 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.791 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -140.91 141.98 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.329999999999998 110.914 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.71 133.2 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.230000000000004 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 129.22 37.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 73.319999999999993 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -137.29 118.04 14.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.549999999999997 110.874 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -131.12 126.09 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 74.329999999999998 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -124.63 129.13 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 64.209999999999994 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 120.68 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 70.409999999999997 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 119' ' ' ALA . . . . . 0.598 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -124.03 123.75 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 51.119999999999997 111.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -130.04 122.34 28.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -131.26 129.5 41.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.409999999999997 110.897 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.46 141.11 29.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 70.099999999999994 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 123' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' H' ' 8' ' ' SER . 13.6 m -141.74 153.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.120000000000005 111.083 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 138.52 42.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 64.349999999999994 110.878 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -128.49 127.76 43.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 62.020000000000003 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.524 HD21 HE22 ' G' ' 3' ' ' GLN . 7.5 tt -124.64 124.13 41.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 62.420000000000002 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.7 129.09 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.519999999999996 110.84 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.73 130.76 50.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.420000000000002 110.869 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.120000000000005 111.181 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 65.400000000000006 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 50.0 m -78.04 177.88 7.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 110.813 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.44 129.03 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.350000000000001 110.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.583 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -142.31 139.36 9.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 62.299999999999997 112.474 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.647 ' HB ' HD23 ' G' ' 26' ' ' LEU . 5.3 t -125.14 124.29 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 74.430000000000007 111.157 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -119.15 132.15 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.409999999999997 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.46 138.54 38.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.47 142.76 23.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 73.109999999999999 110.822 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.99 133.52 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.209999999999994 110.835 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 129.82 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.962 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.16 135.81 43.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 65.310000000000002 110.882 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 112' ' ' LYS . . . . . 0.523 ' CE ' HD12 ' O' ' 114' ' ' LEU . 1.4 tttp -140.32 143.06 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.400000000000006 110.872 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -135.29 127.05 29.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.329999999999998 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -128.28 126.5 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 43.509999999999998 110.901 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.18 129.55 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -139.51 134.12 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.140000000000001 110.842 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 140.23 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.430000000000007 110.84 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -127.49 119.68 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 70.120000000000005 110.888 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -119.4 123.53 44.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 74.349999999999994 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.35 131.83 46.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.510000000000005 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.03 118.18 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -144.58 139.36 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 71.310000000000002 110.831 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' G' ' 8' ' ' SER . 3.9 m -144.69 151.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 75.420000000000002 111.174 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -127.25 139.39 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 72.319999999999993 110.873 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -133.53 128.11 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 71.450000000000003 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.452 HD23 ' C ' ' O' ' 126' ' ' LEU . 8.3 tt -122.53 128.4 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.892 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.82 124.98 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 110.9 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.12 128.29 44.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 64.510000000000005 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 111.15 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 36.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 73.349999999999994 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -76.02 177.43 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.099999999999994 110.852 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -126.04 127.22 45.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.914 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.73 138.63 8.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 44.140000000000001 112.577 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 105' ' ' THR . . . . . 0.414 HG23 ' O ' ' P' ' 105' ' ' THR . 9.5 t -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.219999999999999 111.11 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.02 133.35 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.450000000000003 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.8 138.56 37.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 111.072 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 142.2 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 44.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -142.92 132.49 23.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 71.540000000000006 110.881 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -118.01 129.44 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.88 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.83 134.85 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 54.109999999999999 110.801 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 112' ' ' LYS . . . . . 0.488 ' CE ' HD12 ' P' ' 114' ' ' LEU . 1.5 tttp -139.6 142.7 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 73.409999999999997 110.905 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -135.49 126.77 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.540000000000006 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -127.14 127.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.439999999999998 110.99 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.99 128.15 35.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 65.340000000000003 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -136.81 135.2 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.010000000000005 110.868 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.77 137.71 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.209999999999994 110.89 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -126.62 120.32 29.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 63.210000000000001 110.85 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.18 123.19 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.420000000000002 111.119 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.17 132.74 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.329999999999998 110.961 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -137.81 116.88 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 53.310000000000002 110.848 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -141.16 140.11 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 53.210000000000001 110.917 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 8.0 m -145.21 149.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 54.549999999999997 111.156 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -128.21 138.18 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.209999999999994 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -132.21 128.7 38.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.530000000000001 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.458 HD23 ' C ' ' P' ' 126' ' ' LEU . 8.6 tt -122.59 128.37 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.439999999999998 110.953 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.41 127.43 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.85 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.07 128.21 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.319999999999993 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 71.540000000000006 111.153 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.778 0.323 . . . . 63.310000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -157.35 160.42 38.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 54.25 110.862 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.427 ' HG3' ' NE2' ' B' ' 3' ' ' GLN . 0.7 OUTLIER -163.52 132.81 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.881 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.36 127.88 6.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 64.519999999999996 112.522 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' B' ' 5' ' ' THR . 1.3 p -126.21 117.8 23.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 65.120000000000005 111.141 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.91 125.41 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.019999999999996 110.922 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.443 HG22 ' OE1' ' I' ' 124' ' ' GLN . 12.4 t -137.47 147.91 45.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 111.125 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' I' ' 123' ' ' VAL . 27.6 t -134.58 135.29 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 54.539999999999999 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.18 126.83 30.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 74.040000000000006 110.944 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -136.46 136.24 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 75.409999999999997 110.927 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 138.12 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 65.329999999999998 110.836 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.58 136.83 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.400000000000006 110.858 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -137.74 137.58 38.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.099999999999994 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' I' ' 117' ' ' ARG . 0.8 OUTLIER -129.85 129.67 44.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.913 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -133.07 123.08 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.530000000000001 110.789 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -134.63 120.31 19.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.219999999999999 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HD3' HD11 ' J' ' 114' ' ' LEU . 0.4 OUTLIER -128.44 130.73 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.349999999999994 110.94 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.109999999999999 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.17 139.14 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 35.140000000000001 111.134 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.7 125.46 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 110.889 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.42 132.42 39.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.1 143.09 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.019999999999996 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.66 137.91 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 111.152 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' HG22 ' I' ' 107' ' ' THR . 7.6 tm0? -139.67 144.68 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.120000000000005 110.956 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -137.26 131.68 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.510000000000005 110.943 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.821 HD13 HG23 ' I' ' 105' ' ' THR . 38.4 tp -125.08 136.5 53.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 63.020000000000003 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -134.36 134.87 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 71.209999999999994 110.888 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -152.2 176.89 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 74.239999999999995 111.069 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.753 0.311 . . . . 62.350000000000001 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -157.31 160.35 38.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.230000000000004 110.846 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -161.76 130.12 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.140000000000001 110.914 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 128.67 6.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 64.319999999999993 112.518 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 5' ' ' THR . 1.5 p -126.38 115.85 20.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 54.210000000000001 111.102 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' J' ' 125' ' ' TRP . 0.1 OUTLIER -136.52 132.53 35.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -132.56 151.72 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 60.420000000000002 111.125 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -131.81 135.88 47.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 72.099999999999994 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.08 126.78 30.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 64.319999999999993 110.899 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -135.39 137.25 42.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.430000000000007 110.948 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 140.2 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.848 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -140.07 140.08 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 74.129999999999995 110.934 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.540000000000006 110.851 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.23 128.56 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 73.439999999999998 110.927 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -134.06 123.02 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 110.922 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -134.13 119.91 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 51.109999999999999 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.31 125.76 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 72.329999999999998 110.904 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.876 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.67 139.08 50.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.150000000000006 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -134.87 123.83 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.229999999999997 110.966 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.75 133.41 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.802 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' J' ' 109' ' ' ASP . 0.1 OUTLIER -134.76 141.46 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.510000000000005 110.851 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 140.68 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 55.240000000000002 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.9 145.64 40.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 71.329999999999998 110.923 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -137.03 130.96 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.120000000000005 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -125.39 136.64 53.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -136.92 132.57 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.862 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -152.71 177.05 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 70.239999999999995 110.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.100000000000001 111.183 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.786 0.327 . . . . 72.209999999999994 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 159.33 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 51.539999999999999 110.859 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -157.48 130.77 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 63.009999999999998 110.935 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 137.99 10.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 55.020000000000003 112.478 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.93 113.89 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 71.150000000000006 111.22 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -126.56 123.55 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -136.6 146.49 46.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.319999999999993 111.071 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.53 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.0 t -136.22 135.18 38.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 64.239999999999995 110.814 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -133.92 124.74 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 110.842 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -126.66 130.18 49.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.420000000000002 110.942 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.21 135.45 48.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.409999999999997 110.9 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -146.15 123.96 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.140000000000001 110.909 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.54 126.75 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 42.210000000000001 110.888 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.828 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -115.4 113.76 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 64.040000000000006 110.928 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -117.91 121.72 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.299999999999997 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -133.33 141.26 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.912 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.557 ' NH1' HD13 ' K' ' 114' ' ' LEU . 8.1 ptm180 -142.63 136.9 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.882 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 138.8 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' K' ' 112' ' ' LYS . . . -130.64 141.89 50.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.319999999999993 111.15 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.89 123.65 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.909 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.77 138.15 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 110.896 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.66 128.79 39.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.884 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -141.07 119.61 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 61.25 111.096 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLN . . . . . 0.727 ' HG3' HG22 ' K' ' 107' ' ' THR . 0.4 OUTLIER -152.59 137.28 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.919 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 25' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 1.5 p-90 -140.42 144.09 35.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 74.239999999999995 110.987 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' K' ' 105' ' ' THR . 3.0 tm? -122.87 132.02 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.549999999999997 110.922 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' MET . . . . . 0.471 ' H ' HD22 ' C' ' 26' ' ' LEU . 0.9 OUTLIER -126.03 133.01 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 73.310000000000002 110.873 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -164.4 135.99 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.109999999999999 111.081 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 75.439999999999998 110.798 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.4 159.0 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.826 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -156.04 129.75 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.13 137.09 9.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 45.229999999999997 112.389 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -133.37 113.96 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 72.450000000000003 111.117 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -127.43 128.21 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 64.239999999999995 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -130.31 143.52 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 61.32 111.095 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.535 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.0 t -134.06 134.86 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.450000000000003 110.827 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -139.77 121.56 15.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.340000000000003 110.82 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -125.96 127.15 45.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 70.400000000000006 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 134.24 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 64.400000000000006 110.895 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -145.9 127.06 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.239999999999995 110.84 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.95 122.55 30.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.907 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.18 114.47 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 73.319999999999993 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -116.34 122.39 44.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.807 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 92.3 p -131.46 141.19 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.310000000000002 110.878 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.785 ' HD3' HD11 ' I' ' 114' ' ' LEU . 7.7 ptm180 -142.6 135.44 28.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 72.209999999999994 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 138.35 51.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.875 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -131.0 139.89 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 74.430000000000007 111.159 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.28 125.21 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 51.439999999999998 110.916 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -120.66 138.91 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.901 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -129.16 127.32 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -143.37 123.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 64.239999999999995 111.133 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLN . . . . . 0.454 ' CG ' HG22 ' J' ' 107' ' ' THR . 0.5 OUTLIER -152.05 132.89 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.400000000000006 110.929 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 1.5 p-90 -139.26 141.0 37.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 70.319999999999993 110.868 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.587 HD22 ' O ' ' J' ' 104' ' ' GLY . 3.3 tm? -124.18 130.84 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.239999999999995 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -126.47 129.98 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.834 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -164.95 134.84 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 75.019999999999996 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 65.049999999999997 111.119 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.72 0.295 . . . . 64.510000000000005 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.14 154.79 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 45.200000000000003 110.883 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -154.41 130.22 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.55 128.38 6.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 60.049999999999997 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -121.04 127.58 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 63.450000000000003 111.167 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.26 112.09 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 110.926 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 142.61 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.119 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.613 ' HA ' HG12 ' M' ' 123' ' ' VAL . 6.8 t -138.17 135.34 35.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 110.876 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 121.41 18.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.349999999999994 110.847 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -133.33 125.91 30.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 63.340000000000003 110.951 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -136.79 125.53 23.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 75.299999999999997 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' E' ' 14' ' ' LEU . 8.3 ptmt -128.54 123.72 34.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 74.530000000000001 110.898 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 13' ' ' TYR . . . . . 0.817 ' C ' HD13 ' E' ' 14' ' ' LEU . 10.9 t80 -117.11 136.83 52.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 75.049999999999997 110.921 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.817 HD13 ' C ' ' E' ' 13' ' ' TYR . 0.0 OUTLIER -119.58 141.2 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 75.219999999999999 110.867 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.85 126.72 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.865 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 61.1 m -136.97 119.26 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.129999999999995 110.893 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 141.9 50.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.897 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.64 142.98 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 75.25 110.841 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.83 22.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.439999999999998 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.89 127.27 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.31 121.2 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 54.350000000000001 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.84 116.98 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.439999999999998 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -126.72 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 71.530000000000001 111.18 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.23 152.73 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' TRP . . . . . 0.461 ' CH2' ' HE1' ' E' ' 27' ' ' MET . 3.8 t90 -150.49 130.27 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.2 tm? -122.52 133.69 54.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.25 110.924 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.465 ' H ' HD22 ' E' ' 26' ' ' LEU . 4.4 ptp -127.49 134.06 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -163.53 132.88 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.340000000000003 110.872 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.179 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 73.140000000000001 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.85 153.6 34.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 73.420000000000002 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -153.02 129.43 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 72.310000000000002 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.35 129.65 5.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 63.310000000000002 112.45 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -124.52 124.63 42.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 65.140000000000001 111.088 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.68 115.8 14.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 73.129999999999995 110.83 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 143.94 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 111.147 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.446 ' HA ' HG12 ' L' ' 123' ' ' VAL . 6.6 t -135.64 136.33 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 62.219999999999999 110.821 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.79 15.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 64.310000000000002 110.896 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.7 128.61 39.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 110.91 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -133.54 126.69 31.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 64.230000000000004 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.729 ' HE2' HD21 ' F' ' 14' ' ' LEU . 8.3 ptmt -126.25 124.39 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 54.240000000000002 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 13' ' ' TYR . . . . . 0.776 ' C ' HD13 ' F' ' 14' ' ' LEU . 19.6 t80 -118.33 127.84 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 60.219999999999999 111.008 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.776 HD13 ' C ' ' F' ' 13' ' ' TYR . 0.0 OUTLIER -121.32 135.74 55.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 71.319999999999993 110.924 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.39 123.94 18.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 75.420000000000002 110.834 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 60.3 m -134.81 120.3 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 62.210000000000001 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' ARG . . . . . 0.605 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -127.8 140.45 52.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.861 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -142.12 142.35 32.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 110.851 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' ALA . . . . . 0.528 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -138.61 127.44 23.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.43 111.127 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.9 130.46 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.946 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -131.16 123.47 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 50.020000000000003 110.893 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.06 117.52 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.851 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.98 138.33 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.150000000000006 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -150.45 152.33 34.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 25' ' ' TRP . . . . . 0.438 ' CH2' ' HE1' ' F' ' 27' ' ' MET . 3.0 t90 -158.21 129.57 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.140000000000001 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.63 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.2 tm? -124.06 133.19 53.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 50.020000000000003 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 27' ' ' MET . . . . . 0.458 ' H ' HD22 ' F' ' 26' ' ' LEU . 4.0 ptp -124.99 133.09 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.439999999999998 110.852 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -164.64 132.31 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 110.855 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.510000000000005 111.13 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.808 0.337 . . . . 73.109999999999999 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.95 160.8 37.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.932 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 3' ' ' GLN . . . . . 0.715 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -162.37 162.6 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.140000000000001 110.885 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 128.02 2.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.726 -0.749 . . . . 64.209999999999994 112.48 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 5' ' ' THR . . . . . 0.608 HG21 ' CD1' ' P' ' 126' ' ' LEU . 5.0 p -121.1 134.7 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 41.32 111.106 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -140.16 112.28 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.841 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.62 141.66 51.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 70.319999999999993 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.623 ' HA ' HG12 ' O' ' 123' ' ' VAL . 6.7 t -137.55 135.0 36.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.869 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -135.64 129.73 33.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 73.510000000000005 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -138.77 121.43 16.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.439999999999998 110.942 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.83 131.73 53.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.835 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.0 135.41 48.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 71.430000000000007 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 13' ' ' TYR . . . . . 0.594 ' C ' HD12 ' G' ' 14' ' ' LEU . 9.1 t80 -135.7 129.84 33.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 73.310000000000002 110.93 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.594 HD12 ' C ' ' G' ' 13' ' ' TYR . 10.9 mp -126.88 124.13 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 72.299999999999997 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.73 123.62 40.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.854 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -137.98 123.96 20.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 65.109999999999999 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 145.66 47.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 110.835 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.7 146.08 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.835 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.98 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.219999999999999 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -142.87 134.37 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.099999999999994 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.52 112.7 7.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 71.030000000000001 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -109.38 136.08 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.865 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -141.21 133.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 72.150000000000006 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' GLN . . . . . 0.422 ' NE2' HG23 ' O' ' 107' ' ' THR . 5.5 tp-100 -139.19 121.32 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 52.219999999999999 110.862 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -118.41 132.04 56.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 71.510000000000005 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.612 ' HG ' HG23 ' O' ' 105' ' ' THR . 0.5 OUTLIER -126.71 132.17 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.219999999999999 110.922 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -128.62 133.77 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 55.310000000000002 110.878 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -164.35 146.55 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.530000000000001 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.122 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 71.040000000000006 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 161.23 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.540000000000006 110.835 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.23 160.16 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 74.109999999999999 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 132.41 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 64.030000000000001 112.466 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 74.120000000000005 111.115 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -140.09 114.96 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.902 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 140.62 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.230000000000004 111.12 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -133.82 135.33 43.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 72.040000000000006 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.94 127.1 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.049999999999997 110.854 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -137.71 120.52 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 72.519999999999996 110.937 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.77 131.35 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 31.350000000000001 110.865 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.01 136.61 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.200000000000003 110.939 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 13' ' ' TYR . . . . . 0.566 ' C ' HD12 ' H' ' 14' ' ' LEU . 10.3 t80 -134.28 131.15 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 110.91 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.566 HD12 ' C ' ' H' ' 13' ' ' TYR . 10.7 mp -126.17 122.69 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 62.140000000000001 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.2 122.78 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.849 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -136.98 123.02 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 61.140000000000001 110.885 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.35 47.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 71.150000000000006 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.05 143.78 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.894 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -136.91 143.55 43.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -140.22 135.01 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 62.420000000000002 110.911 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.25 112.05 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.41 136.82 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 73.430000000000007 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.29 129.92 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 65.030000000000001 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -139.99 116.76 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.864 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -119.06 129.99 55.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 71.519999999999996 110.94 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.579 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.5 OUTLIER -128.58 132.1 48.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.872 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -129.41 130.05 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.919 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.85 144.66 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 64.129999999999995 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 111.125 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 64.450000000000003 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.09 151.14 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 110.798 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.06 127.57 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.329999999999998 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 104' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.83 138.36 10.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 53.32 112.477 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.821 HG23 HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -134.54 120.09 19.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.319999999999993 111.146 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -118.52 127.58 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 107' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 24' ' ' GLN . 22.2 p -128.89 116.09 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.430000000000007 111.19 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 25.0 p -122.3 128.81 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 72.239999999999995 110.893 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -128.62 127.62 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 51.210000000000001 110.831 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -129.71 130.61 45.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 75.540000000000006 110.886 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -136.82 141.68 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 74.219999999999999 110.816 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 135.49 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 63.409999999999997 110.907 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -129.88 121.51 26.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 42.100000000000001 110.908 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -121.29 127.18 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 74.409999999999997 110.855 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.56 115.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 65.010000000000005 110.822 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.87 141.28 46.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 64.329999999999998 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 117' ' ' ARG . . . . . 0.616 ' HD2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -147.16 150.88 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 74.120000000000005 110.819 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.79 144.9 46.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.039999999999999 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.16 123.68 13.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 65.439999999999998 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -130.81 132.42 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.120000000000005 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -136.41 123.71 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.219999999999999 110.822 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -142.22 142.74 32.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 64.120000000000005 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -141.74 154.96 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 74.5 111.158 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 124' ' ' GLN . . . . . 0.443 ' OE1' HG22 ' A' ' 7' ' ' THR . 1.9 tm0? -128.62 134.75 48.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.049999999999997 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -135.79 118.4 15.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.340000000000003 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' J' ' 126' ' ' LEU . 9.7 tt -128.72 131.54 47.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.099999999999994 110.981 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 124.42 35.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 70.439999999999998 110.901 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.16 132.16 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.219999999999999 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 111.152 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 75.310000000000002 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.22 151.39 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 53.43 110.823 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.7 125.59 54.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 74.230000000000004 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 104' ' ' GLY . . . . . 0.587 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -135.84 135.84 8.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 74.239999999999995 112.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 105' ' ' THR . . . . . 0.522 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.2 OUTLIER -133.06 119.3 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 64.310000000000002 111.142 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' D' ' 25' ' ' TRP . 10.3 t80 -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 63.25 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 107' ' ' THR . . . . . 0.454 HG22 ' CG ' ' D' ' 24' ' ' GLN . 21.5 p -126.91 116.5 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.158 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 25.1 p -122.97 123.57 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 70.420000000000002 110.841 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 22.8 m-20 -130.57 129.26 42.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 71.409999999999997 110.923 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -130.4 127.73 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.140000000000001 110.968 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -136.06 145.32 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 64.409999999999997 110.82 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.84 137.1 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 74.430000000000007 110.934 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.05 121.97 34.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.941 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -123.64 128.68 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 53.100000000000001 110.955 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -135.19 117.66 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 110.812 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.85 140.02 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 53.149999999999999 110.799 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.12 148.93 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 71.219999999999999 110.886 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.36 147.61 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.109999999999999 110.883 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HD2' ' B' ' 12' ' ' LYS . . . -141.83 127.36 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.030000000000001 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -129.3 131.35 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.928 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -137.77 126.69 24.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 72.010000000000005 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -140.63 140.74 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.4 m -142.5 151.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 64.230000000000004 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -130.33 139.41 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 71.200000000000003 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 125' ' ' TRP . . . . . 0.406 ' HB2' ' CD2' ' B' ' 6' ' ' PHE . 31.6 m95 -129.27 120.52 25.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 70.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' I' ' 126' ' ' LEU . 9.1 tt -128.24 128.67 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.310000000000002 110.866 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.37 126.49 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.893 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.55 130.73 53.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 42.100000000000001 110.835 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 111.189 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 74.540000000000006 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -114.35 143.68 44.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.150000000000006 110.822 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.41 129.59 55.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 75.209999999999994 110.933 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.58 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -137.28 138.44 9.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 73.299999999999997 112.55 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.68 ' HB ' HD23 ' C' ' 26' ' ' LEU . 11.6 t -128.03 134.22 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.200000000000003 111.071 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 106' ' ' PHE . . . . . 0.448 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 19.6 t80 -125.49 121.45 33.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.915 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 107' ' ' THR . . . . . 0.727 HG22 ' HG3' ' C' ' 24' ' ' GLN . 6.5 p -129.27 122.73 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.510000000000005 111.163 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -143.03 145.14 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 61.420000000000002 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -147.75 151.34 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 54.130000000000003 110.9 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -136.58 142.71 43.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 110.935 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -135.62 139.94 44.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 63.009999999999998 110.827 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 112' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -135.61 137.13 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.040000000000006 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.08 115.0 11.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.209999999999994 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.605 HD11 ' NE ' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.22 129.49 55.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.420000000000002 110.9 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.81 120.19 19.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 63.530000000000001 110.826 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.12 126.57 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.84 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.828 ' HD2' HD23 ' C' ' 14' ' ' LEU . 13.6 mtp180 -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 73.109999999999999 110.886 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.05 125.62 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.12 123.09 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.239999999999995 111.056 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -139.77 121.29 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.030000000000001 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -130.66 125.72 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -139.04 140.62 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 73.349999999999994 110.938 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' C' ' 8' ' ' SER . 2.9 m -143.87 152.37 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 44.509999999999998 111.132 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.22 145.02 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 65.129999999999995 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -143.7 114.95 7.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.4 137.65 54.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 62.43 110.92 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.62 124.21 27.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.439999999999998 110.892 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.74 129.4 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.040000000000006 110.913 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.019999999999996 111.126 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.804 0.335 . . . . 71.5 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 144.5 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 64.040000000000006 110.833 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -109.34 125.5 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 63.439999999999998 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.593 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -141.83 135.17 6.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 72.549999999999997 112.49 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.63 ' HB ' HD23 ' F' ' 26' ' ' LEU . 7.3 t -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 75.319999999999993 111.189 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -126.78 122.48 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.530000000000001 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -125.45 124.64 41.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.319999999999993 111.146 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.77 139.59 31.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 62.25 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -151.85 152.72 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 73.150000000000006 110.912 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -135.26 140.44 45.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 110.96 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -136.07 138.06 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 52.329999999999998 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.546 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.07 139.45 39.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 51.219999999999999 110.904 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -135.8 116.38 13.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 74.340000000000003 110.968 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' K' ' 114' ' ' LEU . 0.0 OUTLIER -116.13 130.26 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 72.450000000000003 110.886 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -137.05 120.54 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 110.873 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.71 127.91 39.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.439999999999998 110.858 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.481 ' HG2' HD12 ' F' ' 14' ' ' LEU . 13.8 mtp180 -125.95 124.44 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.340000000000003 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.14 128.94 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 63.229999999999997 110.884 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.8 123.53 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.430000000000007 111.112 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -136.25 122.32 20.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.430000000000007 110.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.98 124.79 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.510000000000005 110.806 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -138.07 141.43 40.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 71.319999999999993 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' F' ' 8' ' ' SER . 4.6 m -142.25 153.39 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.140000000000001 111.141 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.13 148.54 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 75.420000000000002 110.902 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -142.0 116.46 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 138.68 54.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 71.450000000000003 110.944 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.52 125.79 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.892 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -121.68 127.37 50.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 75.329999999999998 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 54.109999999999999 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 72.109999999999999 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 56.8 p -110.04 171.12 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 73.230000000000004 110.906 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 103' ' ' GLN . . . . . 0.623 HE21 HD21 ' E' ' 26' ' ' LEU . 7.4 tm0? -114.21 129.31 56.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 110.935 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.554 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -136.17 138.61 10.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 75.200000000000003 112.49 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.645 ' HB ' HD23 ' E' ' 26' ' ' LEU . 5.3 t -125.55 125.6 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 71.239999999999995 111.233 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -121.48 121.8 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 72.400000000000006 110.868 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.88 131.83 53.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 71.439999999999998 111.17 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.62 124.67 20.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.871 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.24 125.7 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 74.340000000000003 110.905 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -123.38 127.92 49.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 110.902 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.58 134.24 45.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 65.409999999999997 110.91 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 139.7 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 72.400000000000006 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.4 123.41 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.099999999999994 110.903 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -123.69 125.33 44.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.926 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.26 117.38 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.884 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.62 145.39 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 110.867 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 117' ' ' ARG . . . . . 0.718 ' NE ' HD12 ' E' ' 14' ' ' LEU . 7.4 mtp180 -144.11 143.4 31.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.839 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -140.32 131.1 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.219999999999999 110.912 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.72 123.05 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.510000000000005 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.94 122.42 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -130.57 120.61 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.129999999999995 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -140.58 142.34 35.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 110.912 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.1 m -141.16 153.05 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 72.530000000000001 111.159 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.13 128.91 44.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.299999999999997 110.924 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -129.38 128.59 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 73.299999999999997 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' N' ' 126' ' ' LEU . 3.6 tt -134.56 135.49 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.099999999999994 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.67 124.67 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 70.120000000000005 110.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -124.23 134.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 62.130000000000003 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.25 111.11 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 74.239999999999995 110.837 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 56.7 p -109.52 171.13 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 62.520000000000003 110.9 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 103' ' ' GLN . . . . . 0.506 ' OE1' HD21 ' H' ' 26' ' ' LEU . 1.1 tm0? -114.28 125.8 54.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 70.219999999999999 110.942 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.579 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -138.79 137.0 8.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 54.030000000000001 112.518 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -127.42 126.18 41.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.019999999999996 111.152 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -119.25 121.59 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 74.329999999999998 110.853 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.59 131.58 55.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 74.340000000000003 111.131 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.31 123.95 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.45 127.19 34.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.319999999999993 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -122.2 127.57 50.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 50.539999999999999 110.924 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.2 136.19 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.349999999999994 110.905 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.528 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -134.15 142.57 47.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 63.329999999999998 110.934 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -137.89 123.18 19.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.230000000000004 110.94 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -124.24 124.53 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.319999999999993 110.919 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.95 118.93 21.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.549999999999997 110.838 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.68 141.41 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.329999999999998 110.91 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 117' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' F' ' 14' ' ' LEU . 8.3 mtp180 -143.82 147.22 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 64.209999999999994 110.856 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -149.02 131.72 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 70.409999999999997 110.857 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 119' ' ' ALA . . . . . 0.698 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -131.82 123.66 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 51.119999999999997 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -124.77 122.04 36.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.895 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 72.409999999999997 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -139.65 141.49 37.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 70.099999999999994 110.864 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.68 149.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.120000000000005 111.175 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -130.5 130.37 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 64.349999999999994 110.899 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -125.47 129.93 50.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 62.020000000000003 110.916 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' M' ' 126' ' ' LEU . 2.7 tt -134.43 132.96 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.420000000000002 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.89 127.74 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.519999999999996 110.84 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -123.68 132.41 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 63.420000000000002 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.120000000000005 111.1 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' O' O ' 101' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' P' ' 102' ' ' SER . 90.1 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.332 . . . . 65.400000000000006 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 102' ' ' SER . . . . . 0.472 ' HG ' ' CE1' ' P' ' 101' ' ' HIS . 9.7 m -102.59 179.42 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 110.868 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -117.88 145.09 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 62.350000000000001 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.408 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -148.94 149.82 21.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 62.299999999999997 112.504 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.612 HG23 ' HG ' ' G' ' 26' ' ' LEU . 3.8 m -138.36 125.41 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.430000000000007 111.181 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -120.92 119.38 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 107' ' ' THR . . . . . 0.422 HG23 ' NE2' ' G' ' 24' ' ' GLN . 0.3 OUTLIER -117.44 129.73 56.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 75.319999999999993 111.078 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.33 130.06 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.109999999999999 110.864 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -133.48 114.86 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.209999999999994 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.66 134.2 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 111.014 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.53 134.63 30.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.310000000000002 110.835 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 132.54 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 71.400000000000006 110.871 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.2 117.47 20.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.962 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -121.77 122.06 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 43.509999999999998 110.92 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.1 113.85 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.140000000000001 110.813 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.56 132.94 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.140000000000001 110.858 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.422 HH21 HD11 ' G' ' 14' ' ' LEU . 8.1 ptm180 -143.46 153.27 42.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.430000000000007 110.878 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 145.77 27.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 70.120000000000005 110.883 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.49 127.73 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.349999999999994 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -123.69 121.98 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.510000000000005 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -128.05 123.4 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 75.439999999999998 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.73 143.35 32.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.310000000000002 110.887 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.7 m -141.1 151.6 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 111.113 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 137.73 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -136.22 127.72 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 71.450000000000003 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.707 HD13 HD13 ' P' ' 126' ' ' LEU . 9.5 tt -130.5 133.9 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.230000000000004 110.907 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.419 ' N ' HD23 ' O' ' 126' ' ' LEU . 0.7 OUTLIER -128.21 127.72 43.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 74.439999999999998 110.899 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -128.2 134.22 49.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 64.510000000000005 110.88 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.319999999999993 111.073 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 101' ' ' HIS . . . . . 0.472 ' CE1' ' HG ' ' O' ' 102' ' ' SER . 90.2 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 73.349999999999994 110.796 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 102' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' O' ' 101' ' ' HIS . 10.8 m -102.44 179.5 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.099999999999994 110.852 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -118.78 144.29 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.81 149.37 21.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 44.140000000000001 112.472 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 3.9 m -137.2 126.75 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 64.219999999999999 111.12 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.25 119.23 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.450000000000003 110.871 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 129.79 55.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 72.040000000000006 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.18 131.29 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 44.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.32 116.2 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 71.540000000000006 110.84 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.25 134.09 52.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 110.897 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.79 134.56 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 54.109999999999999 110.92 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 112' ' ' LYS . . . . . 0.563 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -132.15 132.98 43.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.409999999999997 110.921 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -129.59 117.69 20.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 64.540000000000006 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -120.42 123.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.877 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -135.85 112.95 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.340000000000003 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.92 135.35 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.010000000000005 110.833 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.27 154.51 43.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 71.209999999999994 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.08 146.32 27.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 63.210000000000001 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.11 126.84 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.420000000000002 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.97 122.78 38.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -131.68 121.98 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 53.310000000000002 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -142.3 143.34 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 53.210000000000001 110.807 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.24 149.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 54.549999999999997 111.107 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 136.43 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.209999999999994 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -135.07 128.94 33.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 74.530000000000001 110.954 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.715 HD11 HE22 ' G' ' 3' ' ' GLN . 9.9 tt -130.94 134.27 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.439999999999998 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.36 130.95 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.861 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.59 133.41 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.319999999999993 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 71.540000000000006 111.214 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 63.310000000000002 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 p -130.9 150.93 51.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 54.25 110.811 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -167.44 169.04 12.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 73.120000000000005 110.923 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.81 130.22 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 64.519999999999996 112.484 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.43 121.07 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 65.120000000000005 111.154 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.44 112.23 16.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 65.019999999999996 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 m -125.53 147.14 49.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 111.159 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.66 ' HA ' HG12 ' I' ' 123' ' ' VAL . 58.4 m -146.77 134.64 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 54.539999999999999 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.61 133.61 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -143.75 125.47 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.409999999999997 110.925 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.04 143.85 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 65.329999999999998 110.834 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -147.1 145.3 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 75.400000000000006 110.821 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -140.91 134.34 29.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.099999999999994 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.26 125.39 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.25 110.948 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -127.28 122.82 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.530000000000001 110.848 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.65 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 110.926 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' NH1' HD11 ' J' ' 114' ' ' LEU . 1.0 OUTLIER -124.84 131.95 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.349999999999994 110.886 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -128.31 128.65 45.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.109999999999999 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.77 137.49 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 35.140000000000001 111.098 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.59 124.1 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -119.08 124.47 46.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.340000000000003 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.58 123.56 39.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.019999999999996 110.914 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -138.63 123.04 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.230000000000004 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.9 OUTLIER -129.03 148.17 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 110.894 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -147.63 135.41 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 110.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -131.57 145.01 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.020000000000003 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.466 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 1.7 ptp -133.07 144.08 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 71.209999999999994 110.908 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -152.65 157.29 40.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.675 HG23 ' HA ' ' I' ' 101' ' ' HIS . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 111.134 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 62.350000000000001 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -131.32 152.87 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 110.895 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -165.7 165.43 18.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 75.140000000000001 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.24 133.95 3.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 64.319999999999993 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.792 HG22 ' HG ' ' J' ' 126' ' ' LEU . 9.2 p -123.82 119.48 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 54.210000000000001 111.058 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -127.22 117.55 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.407 HG23 ' HB2' ' J' ' 124' ' ' GLN . 13.3 m -119.01 149.06 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 60.420000000000002 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -141.47 135.55 30.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.099999999999994 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.72 133.5 36.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 64.319999999999993 110.764 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -142.87 127.89 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.430000000000007 110.829 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.7 144.47 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 74.519999999999996 110.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.453 ' HE3' HD11 ' B' ' 14' ' ' LEU . 35.5 ttpt -144.88 148.5 33.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.911 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -137.72 133.86 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 71.540000000000006 110.911 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.453 HD11 ' HE3' ' B' ' 12' ' ' LYS . 2.8 mp -124.91 122.78 38.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 73.439999999999998 110.899 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.07 124.06 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.349999999999994 110.89 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.54 119.8 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 51.109999999999999 110.926 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.04 129.14 51.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 72.329999999999998 110.857 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -131.26 129.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' J' ' 112' ' ' LYS . . . -126.73 135.79 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 72.150000000000006 111.092 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -133.32 124.71 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.229999999999997 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.06 126.46 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.834 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.68 124.01 41.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.46 122.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 55.240000000000002 111.092 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.15 148.65 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 71.329999999999998 110.885 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -146.61 134.21 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.938 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.17 144.83 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.510000000000005 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptp -132.75 143.21 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 73.209999999999994 110.84 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -152.15 157.88 42.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.239999999999995 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 61.100000000000001 111.12 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.774 0.321 . . . . 72.209999999999994 110.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.59 149.89 52.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 51.539999999999999 110.825 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.43 135.84 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.009999999999998 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.71 128.32 5.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 55.020000000000003 112.47 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -125.93 117.92 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 71.150000000000006 111.134 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -125.08 119.9 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.109999999999999 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -129.22 147.11 51.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 70.319999999999993 111.154 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -139.87 135.04 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.239999999999995 110.809 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -135.72 128.34 30.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 72.120000000000005 110.872 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -136.69 122.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.420000000000002 110.976 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.74 133.17 45.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.409999999999997 110.865 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LYS . . . . . 0.404 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.2 OUTLIER -140.27 140.44 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.895 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -134.58 137.49 43.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 42.210000000000001 110.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.411 HD12 ' N ' ' C' ' 14' ' ' LEU . 4.7 mp -127.96 121.48 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.040000000000006 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -126.86 123.17 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.299999999999997 110.809 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -134.72 121.3 20.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.120000000000005 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.482 ' HD3' HD11 ' L' ' 114' ' ' LEU . 7.0 ptm180 -126.29 134.59 51.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 74.530000000000001 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -129.26 135.95 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 73.129999999999995 110.885 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.12 131.4 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.319999999999993 111.096 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.87 125.39 29.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.209999999999994 110.911 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.47 128.02 43.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 74.319999999999993 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -124.0 124.36 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.49 119.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 61.25 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.51 121.96 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -117.72 129.73 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.3 OUTLIER -132.5 136.8 46.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.549999999999997 110.903 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.73 132.44 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 73.310000000000002 110.853 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -160.45 145.71 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 111.168 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.813 0.34 . . . . 75.439999999999998 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.33 149.23 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.859 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.19 130.49 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 72.349999999999994 110.889 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.77 129.82 5.44 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 45.229999999999997 112.45 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -122.57 117.1 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 72.450000000000003 111.174 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.71 119.46 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -123.7 146.51 48.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.084 -0.507 . . . . 61.32 111.111 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' HG12 ' J' ' 123' ' ' VAL . 5.0 t -137.72 135.12 36.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 74.450000000000003 110.832 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.41 127.42 25.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 75.340000000000003 110.867 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -135.75 122.07 20.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 70.400000000000006 110.957 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 133.84 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.400000000000006 110.853 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' L' ' 119' ' ' ALA . 0.2 OUTLIER -138.6 141.05 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 74.239999999999995 110.897 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.5 137.04 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.638 HD13 HH11 ' L' ' 117' ' ' ARG . 4.8 mp -129.19 121.48 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.319999999999993 110.928 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -125.86 124.29 40.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.120000000000005 110.869 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -134.13 119.62 19.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.310000000000002 110.865 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -125.65 134.0 52.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 72.209999999999994 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -130.79 136.14 48.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.24 131.55 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.430000000000007 111.159 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.55 126.96 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 51.439999999999998 110.843 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.91 130.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.120000000000005 110.901 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.26 124.41 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.439999999999998 110.832 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -136.66 117.71 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 64.239999999999995 111.138 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.33 117.04 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 72.400000000000006 110.915 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -118.71 131.34 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.319999999999993 110.969 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' J' ' 105' ' ' THR . 0.3 OUTLIER -133.16 139.24 46.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 129.71 25.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.912 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -164.2 144.93 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.019999999999996 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 65.049999999999997 111.173 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.75 0.31 . . . . 64.510000000000005 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -144.44 153.01 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 45.200000000000003 110.876 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -168.81 133.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 71.140000000000001 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 126.1 6.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 60.049999999999997 112.467 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.533 HG22 HD12 ' K' ' 126' ' ' LEU . 6.5 p -129.86 122.67 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 63.450000000000003 111.185 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.72 113.38 17.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 75.239999999999995 110.852 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' THR . . . . . 0.439 HG23 ' HB2' ' K' ' 124' ' ' GLN . 0.2 OUTLIER -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 72.030000000000001 111.085 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.647 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -133.15 134.6 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 72.420000000000002 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.58 122.27 23.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.349999999999994 110.87 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -125.39 122.62 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.340000000000003 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.69 131.7 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 75.299999999999997 110.881 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 12' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' E' ' 14' ' ' LEU . 1.3 ttpm? -145.19 121.23 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.17 124.61 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 75.049999999999997 110.929 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.739 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.6 OUTLIER -113.99 112.91 24.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.219999999999999 110.876 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -119.3 122.21 41.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.909 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -136.43 139.51 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 74.129999999999995 110.841 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -141.16 137.42 32.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.519 . . . . 74.129999999999995 110.806 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -129.5 125.81 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.63 135.79 53.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.439999999999998 111.089 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.45 124.2 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.22 122.26 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 54.350000000000001 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -113.65 132.17 55.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.921 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.39 122.02 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.530000000000001 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' M' ' 107' ' ' THR . 0.6 OUTLIER -152.08 135.97 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 74.030000000000001 110.908 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.7 p-90 -136.86 141.46 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 70.319999999999993 110.88 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.773 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.6 tm? -120.75 129.45 53.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.547 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.6 ptp -122.48 134.02 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.299999999999997 110.839 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.23 140.03 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.340000000000003 110.968 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 111.18 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 73.140000000000001 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -143.64 154.72 43.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -162.85 130.3 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 72.310000000000002 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 4' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' L' ' 127' ' ' MET . . . -126.66 129.69 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 63.310000000000002 112.456 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 5' ' ' THR . . . . . 0.984 HG22 HD23 ' N' ' 126' ' ' LEU . 7.8 p -123.13 119.32 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 65.140000000000001 111.119 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -127.85 115.07 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.129999999999995 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 7' ' ' THR . . . . . 0.486 HG23 ' HB2' ' N' ' 124' ' ' GLN . 0.2 OUTLIER -116.97 139.43 50.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 111.121 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.8 t -131.9 134.63 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 62.219999999999999 110.868 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.85 120.02 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -124.22 120.11 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.899 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.16 131.56 53.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 64.230000000000004 110.808 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.674 ' HE3' HD11 ' F' ' 14' ' ' LEU . 1.4 ttpm? -144.94 122.95 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 54.240000000000002 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 122.38 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 60.219999999999999 110.929 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' F' ' 12' ' ' LYS . 0.8 OUTLIER -112.07 112.96 24.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 71.319999999999993 110.96 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -117.76 122.07 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.9 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -135.14 139.6 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 62.210000000000001 110.857 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' ARG . . . . . 0.679 ' HD3' HD11 ' K' ' 114' ' ' LEU . 6.2 ptm180 -140.95 133.96 29.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.857 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -129.93 125.85 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 72.230000000000004 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.77 135.04 54.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 54.43 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.56 124.87 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.855 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.1 123.95 29.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 50.020000000000003 110.823 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -113.07 132.01 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 72.409999999999997 110.888 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.7 t -142.62 123.25 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.150000000000006 111.156 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.32 132.0 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.230000000000004 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -136.31 138.88 42.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.140000000000001 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.665 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.1 tm? -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 50.020000000000003 110.946 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -121.55 130.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.834 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.85 139.66 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.150000000000006 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.510000000000005 111.14 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.756 0.312 . . . . 73.109999999999999 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -145.81 158.16 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 110.882 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -167.18 169.3 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.140000000000001 110.926 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 4' ' ' GLY . . . . . 0.438 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -157.28 128.08 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.765 . . . . 64.209999999999994 112.46 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -124.72 121.24 34.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 41.32 111.126 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -125.8 116.05 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.329999999999998 110.845 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.33 141.89 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 70.319999999999993 111.114 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' O' ' 123' ' ' VAL . 11.3 t -136.12 135.14 39.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.897 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.39 129.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.510000000000005 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -132.83 129.5 38.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.439999999999998 110.954 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.14 131.53 48.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.400000000000006 110.799 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 12' ' ' LYS . . . . . 0.67 ' CE ' HD11 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -141.17 122.08 14.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 71.430000000000007 110.873 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.04 127.71 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.99 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 12' ' ' LYS . 0.9 OUTLIER -114.54 112.6 23.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 110.898 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -118.19 121.91 41.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.37 137.28 37.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 65.109999999999999 110.915 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 17' ' ' ARG . . . . . 0.518 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.7 ptm180 -140.35 136.9 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.030000000000001 110.853 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 134.27 47.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.239999999999995 110.846 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.79 135.24 51.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.219999999999999 111.048 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -139.97 131.87 27.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.099999999999994 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.030000000000001 110.892 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.89 134.96 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 74.340000000000003 110.927 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 28.6 t -145.77 117.42 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 72.150000000000006 111.09 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' GLN . . . . . 0.671 ' HB2' HG23 ' O' ' 107' ' ' THR . 0.0 OUTLIER -149.44 135.34 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 52.219999999999999 110.933 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 25' ' ' TRP . . . . . 0.486 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 10.0 p-90 -137.9 138.48 39.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 71.510000000000005 110.92 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.829 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.0 tm? -122.98 125.42 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.219999999999999 110.875 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.598 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -126.0 132.56 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 55.310000000000002 110.874 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.78 148.82 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 64.530000000000001 110.834 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 29' ' ' THR . . . . . 0.63 HG21 ' CD2' ' O' ' 101' ' ' HIS . 2.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.010000000000005 111.149 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.748 0.309 . . . . 71.040000000000006 110.784 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -145.63 159.15 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.540000000000006 110.783 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.15 165.7 19.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 74.109999999999999 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.3 130.36 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 64.030000000000001 112.425 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -119.47 119.78 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.120000000000005 111.175 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -127.0 117.64 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.863 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -124.26 141.48 52.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 111.089 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.487 ' HA ' HG12 ' N' ' 123' ' ' VAL . 11.2 t -132.87 135.22 45.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 72.040000000000006 110.828 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.01 126.52 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 74.049999999999997 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -132.41 126.77 33.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.519999999999996 110.829 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.49 130.66 49.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 31.350000000000001 110.841 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 12' ' ' LYS . . . . . 0.737 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -142.42 123.96 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 72.200000000000003 110.927 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.430000000000007 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.69 HD11 ' NZ ' ' H' ' 12' ' ' LYS . 1.7 mp -114.38 113.57 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 62.140000000000001 110.903 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -118.23 122.88 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.6 136.85 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 61.140000000000001 110.875 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -141.05 136.96 32.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 71.150000000000006 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.01 44.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 63.009999999999998 110.886 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 19' ' ' ALA . . . . . 0.591 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -125.95 135.43 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.136 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -140.0 133.03 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 62.420000000000002 110.899 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -141.02 142.56 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.400000000000006 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -129.53 136.94 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.898 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 23' ' ' VAL . . . . . 0.431 HG13 ' OG ' ' P' ' 108' ' ' SER . 26.2 t -145.6 118.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 65.030000000000001 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 24' ' ' GLN . . . . . 0.485 ' HB2' HG23 ' N' ' 107' ' ' THR . 0.0 OUTLIER -150.07 127.94 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.519999999999996 110.939 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -139.05 136.93 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.519999999999996 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.767 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.4 tm? -125.19 123.93 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.439999999999998 110.945 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 130.29 52.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.842 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -166.02 149.27 7.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 64.129999999999995 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 29' ' ' THR . . . . . 0.489 HG23 ' CA ' ' P' ' 102' ' ' SER . 2.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 65.219999999999999 111.196 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 101' ' ' HIS . . . . . 0.675 ' HA ' HG23 ' A' ' 29' ' ' THR . 8.2 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.738 0.304 . . . . 64.450000000000003 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 26.3 p -147.88 163.79 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 72.010000000000005 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -107.34 127.08 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 63.329999999999998 110.914 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 104' ' ' GLY . . . . . 0.466 ' HA3' ' HE3' ' A' ' 27' ' ' MET . . . -134.49 139.08 10.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.5 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.8 118.73 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 73.319999999999993 111.11 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -119.95 125.2 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.409999999999997 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 107' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -124.02 120.48 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 111.239 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.4 127.39 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.82 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.38 137.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 51.210000000000001 110.818 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -135.48 127.7 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.934 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -120.69 134.37 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.842 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -130.67 129.28 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 63.409999999999997 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -132.53 116.11 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 42.100000000000001 110.961 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -118.75 126.09 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.409999999999997 110.915 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -135.03 109.86 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 65.010000000000005 110.892 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.66 133.59 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 64.329999999999998 110.852 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -138.96 139.76 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.120000000000005 110.845 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.75 149.26 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 63.039999999999999 110.849 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.0 123.47 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.439999999999998 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.73 128.7 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 64.120000000000005 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.08 131.18 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 63.219999999999999 110.85 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -146.19 143.63 29.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.889 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 8' ' ' SER . 14.9 m -139.78 158.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.191 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.85 135.88 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.049999999999997 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -135.39 114.09 11.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 110.914 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.482 HD23 ' N ' ' I' ' 127' ' ' MET . 6.5 tt -120.06 131.45 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.099999999999994 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 127' ' ' MET . . . . . 0.482 ' N ' HD23 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -127.23 126.48 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.867 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -127.26 139.4 52.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 65.219999999999999 110.846 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 64.439999999999998 111.21 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.863 0.363 . . . . 75.310000000000002 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 26.1 p -148.15 164.06 35.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 53.43 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -106.96 126.13 51.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.230000000000004 110.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.51 138.28 9.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 74.239999999999995 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 105' ' ' THR . . . . . 0.639 HG23 ' CD1' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -131.32 119.2 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 64.310000000000002 111.098 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -121.48 123.54 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.25 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.46 118.84 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 73.219999999999999 111.188 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.83 124.47 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 70.420000000000002 110.894 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.81 141.19 36.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.871 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -134.66 127.59 31.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 110.986 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -118.15 135.01 54.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 64.409999999999997 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.416 ' CD ' ' HB2' ' B' ' 19' ' ' ALA . 20.7 tptp -131.57 129.84 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -129.64 117.14 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.099999999999994 110.886 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.636 HD11 ' NH1' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -120.57 126.3 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 53.100000000000001 110.925 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.34 111.24 10.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.859 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.96 129.83 42.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 53.149999999999999 110.861 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -142.12 140.25 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.856 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.92 151.05 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.936 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.75 125.16 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 111.065 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.9 128.7 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.450000000000003 110.92 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.58 134.72 37.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 72.010000000000005 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -144.8 141.7 29.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 72.209999999999994 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 123' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' D' ' 8' ' ' SER . 17.0 m -139.51 156.16 26.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 64.230000000000004 111.11 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 124' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' B' ' 7' ' ' THR . 16.7 tt0 -138.56 139.97 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 71.200000000000003 110.853 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -131.14 115.41 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 70.25 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.792 ' HG ' HG22 ' B' ' 5' ' ' THR . 6.5 tt -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 127' ' ' MET . . . . . 0.454 ' N ' HD23 ' J' ' 126' ' ' LEU . 0.3 OUTLIER -127.48 130.22 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.319999999999993 110.833 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -126.12 137.04 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 42.100000000000001 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 74.540000000000006 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -154.42 169.76 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.150000000000006 110.886 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.05 126.84 47.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.209999999999994 110.922 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.33 136.56 8.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 73.299999999999997 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.524 HG23 ' HG ' ' C' ' 26' ' ' LEU . 13.2 m -131.38 137.91 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 75.200000000000003 111.111 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -134.85 110.72 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.884 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 4.8 m -109.5 118.87 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 71.510000000000005 111.114 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.83 127.56 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.2 138.17 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 54.130000000000003 110.843 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.64 127.79 39.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.868 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -129.31 134.23 47.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 63.009999999999998 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 112' ' ' LYS . . . . . 0.549 ' CE ' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -135.16 133.64 39.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.859 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -132.37 115.58 15.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.209999999999994 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.679 HD11 ' HD3' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.32 114.58 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.956 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.58 113.39 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 63.530000000000001 110.83 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 18.5 p -131.12 129.99 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 110.859 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -137.73 137.65 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.109999999999999 110.792 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.35 143.4 50.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.209999999999994 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.95 122.85 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.239999999999995 111.109 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.03 125.34 29.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.030000000000001 110.872 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -132.81 120.89 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.120000000000005 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -135.72 141.68 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.349999999999994 110.861 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.3 m -142.0 156.13 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 44.509999999999998 111.134 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 124' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' E' ' 7' ' ' THR . 1.7 tt0 -133.1 138.81 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 65.129999999999995 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -135.92 110.86 8.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.533 HD12 HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -116.95 128.09 54.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 62.43 110.872 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.33 124.03 40.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 110.883 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -124.7 139.1 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.040000000000006 110.836 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.019999999999996 111.145 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.5 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -154.34 169.44 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 64.040000000000006 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 126.31 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 63.439999999999998 110.877 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.568 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -133.88 135.05 7.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.82 -0.705 . . . . 72.549999999999997 112.511 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.665 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.8 m -131.29 132.73 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.319999999999993 111.159 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -130.62 109.32 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.530000000000001 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 4.6 m -107.84 117.37 33.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.319999999999993 111.181 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 124.54 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.843 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.29 138.52 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.804 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -130.04 127.6 40.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.858 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -128.71 134.65 48.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.329999999999998 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.547 ' CE ' HD12 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -135.1 133.84 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 51.219999999999999 110.923 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -130.1 115.25 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.547 HD12 ' CE ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -117.97 114.84 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.450000000000003 110.87 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.21 114.26 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 63.409999999999997 110.855 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 17.6 p -129.88 130.0 44.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.439999999999998 110.807 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 117' ' ' ARG . . . . . 0.638 HH11 HD13 ' D' ' 14' ' ' LEU . 8.6 ptm180 -137.4 135.06 36.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.815 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.78 145.17 50.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 63.229999999999997 110.929 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' HG3' ' D' ' 12' ' ' LYS . . . -139.66 126.18 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 73.430000000000007 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.46 126.43 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.430000000000007 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -133.39 121.6 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.510000000000005 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -134.51 138.02 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.319999999999993 110.91 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' F' ' 8' ' ' SER . 7.6 m -142.48 152.75 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.140000000000001 111.157 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -136.71 141.32 43.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 114.94 13.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.329999999999998 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.542 HD23 ' O ' ' L' ' 126' ' ' LEU . 0.5 OUTLIER -118.51 127.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.450000000000003 110.899 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 127' ' ' MET . . . . . 0.414 ' HE3' ' HA2' ' F' ' 4' ' ' GLY . 0.0 OUTLIER -124.66 126.79 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.857 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -121.22 136.92 54.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.329999999999998 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 54.109999999999999 111.181 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.832 0.349 . . . . 72.109999999999999 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.26 176.37 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.876 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -119.48 130.65 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.409999999999997 110.925 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.54 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.4 138.84 9.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 75.200000000000003 112.497 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.773 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.1 t -126.18 130.55 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 71.239999999999995 111.128 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 106' ' ' PHE . . . . . 0.459 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 21.2 t80 -121.45 118.16 28.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.400000000000006 110.86 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 107' ' ' THR . . . . . 0.605 HG23 ' HB2' ' E' ' 24' ' ' GLN . 2.7 m -125.31 121.87 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.439999999999998 111.115 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -139.25 142.48 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.895 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.23 131.36 19.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.51 132.33 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.129999999999995 110.923 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.75 137.46 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.409999999999997 110.861 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 112' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -136.51 135.27 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 72.400000000000006 110.924 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -128.54 121.13 28.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.099999999999994 110.916 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -119.83 125.05 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 75.109999999999999 110.906 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.15 122.63 30.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.971 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -132.69 129.79 39.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.430000000000007 110.856 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 117' ' ' ARG . . . . . 0.739 ' HD2' HD23 ' E' ' 14' ' ' LEU . 3.3 mtp85 -131.11 125.05 32.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.400000000000006 110.918 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.82 119.83 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.219999999999999 110.915 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 119' ' ' ALA . . . . . 0.564 ' HB3' ' HG3' ' G' ' 12' ' ' LYS . . . -128.12 122.79 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 70.510000000000005 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -142.84 121.45 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -128.25 125.92 39.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 72.129999999999995 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -139.54 143.98 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 110.856 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.3 m -140.99 155.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 72.530000000000001 111.176 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -129.15 133.27 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.24 109.39 11.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.732 HD22 ' N ' ' M' ' 127' ' ' MET . 0.3 OUTLIER -115.48 114.86 25.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 74.099999999999994 110.923 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 127' ' ' MET . . . . . 0.732 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.1 OUTLIER -117.11 122.44 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.120000000000005 110.943 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -122.24 136.79 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 62.130000000000003 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.197 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.239999999999995 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.59 176.58 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 62.520000000000003 110.821 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 103' ' ' GLN . . . . . 0.693 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.2 tm0? -118.98 129.99 55.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 70.219999999999999 110.865 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.434 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.71 137.39 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 54.030000000000001 112.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 105' ' ' THR . . . . . 0.767 ' HB ' HD23 ' H' ' 26' ' ' LEU . 15.0 t -129.7 130.54 45.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 73.019999999999996 111.119 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -122.55 118.16 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.329999999999998 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 107' ' ' THR . . . . . 0.485 HG23 ' HB2' ' H' ' 24' ' ' GLN . 2.7 m -118.95 123.66 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 111.13 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -141.11 138.91 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -146.95 132.28 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 72.319999999999993 110.83 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -120.16 129.68 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.539999999999999 110.868 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.98 137.25 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.349999999999994 110.818 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.624 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -137.47 135.74 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.329999999999998 110.898 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.48 121.63 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.230000000000004 110.966 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -119.52 125.67 49.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.925 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.97 119.46 21.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.549999999999997 110.875 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 13.1 m -134.41 131.99 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.329999999999998 110.846 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -131.34 124.16 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 64.209999999999994 110.89 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.21 120.55 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 70.409999999999997 110.86 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.9 124.66 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 51.119999999999997 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -138.0 124.77 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.25 124.46 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -136.27 142.85 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 70.099999999999994 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 123' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' H' ' 8' ' ' SER . 12.7 m -141.82 152.76 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 111.117 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 124' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' F' ' 7' ' ' THR . 4.9 tt0 -132.26 133.66 44.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 64.349999999999994 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 108.91 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 62.020000000000003 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.984 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.43 116.78 28.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 62.420000000000002 110.929 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 127' ' ' MET . . . . . 0.628 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.1 OUTLIER -117.56 128.27 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.519999999999996 110.872 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -118.83 134.41 55.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 63.420000000000002 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 71.120000000000005 111.17 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' O' O ' 101' ' ' HIS . . . . . 0.63 ' CD2' HG21 ' G' ' 29' ' ' THR . 8.0 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.321 . . . . 65.400000000000006 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.3 p -120.7 177.7 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.420000000000002 110.927 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.82 147.23 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.350000000000001 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.512 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.63 137.23 5.57 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 62.299999999999997 112.463 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.829 ' HB ' HD23 ' G' ' 26' ' ' LEU . 15.3 t -129.13 131.37 47.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 74.430000000000007 111.206 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 106' ' ' PHE . . . . . 0.486 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 37.1 t80 -123.46 123.35 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 62.409999999999997 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 107' ' ' THR . . . . . 0.671 HG23 ' HB2' ' G' ' 24' ' ' GLN . 3.5 m -129.55 121.97 28.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 75.319999999999993 111.136 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 142.25 36.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.109999999999999 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.2 154.28 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 73.209999999999994 110.937 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -143.14 140.17 30.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 70.439999999999998 110.957 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -147.12 139.47 24.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.310000000000002 110.875 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 141.82 36.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 71.400000000000006 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -134.91 124.24 24.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.329999999999998 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.415 ' CD2' HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -124.35 126.74 46.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 43.509999999999998 110.884 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.07 126.66 32.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.902 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 126.29 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.140000000000001 110.828 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 117' ' ' ARG . . . . . 0.419 ' HD2' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.26 126.12 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 75.430000000000007 110.896 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 118' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' G' ' 12' ' ' LYS . 5.5 mtt180 -112.12 119.47 38.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 70.120000000000005 110.963 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.78 122.29 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 111.115 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.91 121.0 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.510000000000005 110.984 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -128.0 125.12 38.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.439999999999998 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.96 141.87 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 71.310000000000002 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' G' ' 8' ' ' SER . 4.3 m -141.29 152.11 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 111.163 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 136.57 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 72.319999999999993 110.879 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -134.23 113.81 12.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 71.450000000000003 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' P' ' 126' ' ' LEU . 8.3 tt -117.1 132.01 56.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.230000000000004 110.94 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.438 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.7 mmt -124.78 136.68 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.02 137.0 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 64.510000000000005 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 72.319999999999993 111.131 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 73.349999999999994 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 102' ' ' SER . . . . . 0.489 ' CA ' HG23 ' H' ' 29' ' ' THR . 83.2 p -120.51 178.37 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 64.099999999999994 110.88 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.53 146.02 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 110.864 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.36 138.56 6.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 44.140000000000001 112.529 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 13.7 t -129.97 131.29 45.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 64.219999999999999 111.204 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -122.01 124.23 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.450000000000003 110.859 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.36 121.52 27.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 72.040000000000006 111.181 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 108' ' ' SER . . . . . 0.431 ' OG ' HG13 ' H' ' 23' ' ' VAL . 4.1 m -140.85 141.64 34.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 44.0 110.837 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.97 154.52 45.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 71.540000000000006 110.923 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -144.41 137.42 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.310000000000002 110.872 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 23.0 t -148.26 137.55 22.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 54.109999999999999 110.861 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -140.61 140.34 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 73.409999999999997 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -134.7 123.66 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 64.540000000000006 110.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.518 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -122.04 127.8 50.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.936 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.95 124.9 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.340000000000003 110.884 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 127.33 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.838 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.17 124.31 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.209999999999994 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -113.43 119.39 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 63.210000000000001 110.881 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 119' ' ' ALA . . . . . 0.737 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -124.13 123.53 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 62.420000000000002 111.121 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 124.82 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 74.329999999999998 110.874 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.2 122.85 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 53.310000000000002 110.935 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 53.210000000000001 110.905 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -142.83 148.0 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.549999999999997 111.152 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.74 134.14 47.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 71.209999999999994 110.908 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.24 114.67 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.530000000000001 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' O' ' 126' ' ' LEU . 8.2 tt -118.14 130.22 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 63.439999999999998 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.8 mmt -125.66 136.93 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.109999999999999 110.916 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -133.0 135.77 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 70.319999999999993 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 71.540000000000006 111.126 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 63.310000000000002 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -148.15 161.8 40.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 54.25 110.884 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -165.91 165.31 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.120000000000005 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.6 142.23 7.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 64.519999999999996 112.546 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -131.57 138.03 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 65.120000000000005 111.13 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -135.74 111.78 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 65.019999999999996 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 m -128.54 147.63 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.430000000000007 111.124 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.617 ' HA ' HG12 ' I' ' 123' ' ' VAL . 11.1 t -146.46 135.45 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 54.539999999999999 110.833 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -144.61 126.2 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 74.040000000000006 110.849 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -145.44 133.71 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.409999999999997 110.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -133.45 142.54 48.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 65.329999999999998 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 140.76 47.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.400000000000006 110.854 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -141.68 126.72 18.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.911 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -125.7 129.7 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -135.33 122.88 22.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 75.530000000000001 110.867 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 p -130.3 127.3 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.219999999999999 110.852 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -123.65 139.27 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.349999999999994 110.931 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -139.06 119.87 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 65.109999999999999 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.01 144.15 47.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 35.140000000000001 111.146 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -135.48 124.11 23.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 74.319999999999993 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.0 124.42 50.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 75.340000000000003 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.57 122.25 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.019999999999996 110.815 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.62 135.37 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CD ' HG23 ' I' ' 107' ' ' THR . 1.7 tp-100 -130.32 134.7 47.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -138.75 129.88 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 74.510000000000005 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.602 ' CB ' HG23 ' I' ' 105' ' ' THR . 0.8 OUTLIER -134.02 150.15 51.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 63.020000000000003 110.923 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 150.08 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 110.894 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.71 176.78 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.219999999999999 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.239999999999995 111.142 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 62.350000000000001 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -148.22 162.18 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.230000000000004 110.912 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -164.25 161.41 21.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.29 142.83 8.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 64.319999999999993 112.542 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -132.37 136.12 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 54.210000000000001 111.154 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -138.54 115.47 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 74.209999999999994 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.0 m -123.3 147.41 47.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 60.420000000000002 111.127 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -143.11 137.71 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 72.099999999999994 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -144.99 121.34 10.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 110.938 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -146.21 134.63 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.430000000000007 110.941 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -132.04 147.96 52.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 110.862 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 74.129999999999995 110.881 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -138.56 125.72 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.540000000000006 110.884 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.94 129.34 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 73.439999999999998 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -136.41 123.64 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.349999999999994 110.827 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -127.54 128.95 46.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 51.109999999999999 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -122.35 136.94 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 72.329999999999998 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -142.93 123.35 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.425 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -117.7 143.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.150000000000006 111.09 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -135.62 127.37 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 63.229999999999997 110.916 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 128.56 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.430000000000007 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.69 123.03 34.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.510000000000005 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -138.97 130.18 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 55.240000000000002 111.172 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -134.12 140.01 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.329999999999998 110.946 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -136.55 130.26 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 74.120000000000005 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.63 148.59 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 75.510000000000005 110.953 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.57 149.58 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 110.906 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.515 HD21 ' N ' ' B' ' 29' ' ' THR . 0.4 OUTLIER -163.97 176.44 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 70.239999999999995 110.921 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.515 ' N ' HD21 ' B' ' 28' ' ' ASN . 1.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 61.100000000000001 111.121 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.725 0.298 . . . . 72.209999999999994 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.588 ' HB2' HG23 ' K' ' 129' ' ' THR . 12.8 t -146.31 154.1 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.539999999999999 110.871 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -155.56 148.88 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 63.009999999999998 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 127.7 3.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.665 -0.779 . . . . 55.020000000000003 112.418 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -122.67 125.9 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 71.150000000000006 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -122.4 112.16 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.109999999999999 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.9 140.27 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 70.319999999999993 111.127 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.558 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.9 OUTLIER -138.15 135.12 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.239999999999995 110.838 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.5 123.85 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 72.120000000000005 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.97 135.18 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 110.935 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -132.14 144.08 50.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 64.409999999999997 110.838 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.75 140.39 42.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 75.140000000000001 110.864 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -142.53 127.17 18.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 42.210000000000001 110.907 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.4 OUTLIER -122.17 130.25 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 64.040000000000006 110.919 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -132.55 122.94 25.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.831 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 71.0 m -131.9 120.49 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.120000000000005 110.886 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -116.23 133.91 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.530000000000001 110.807 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.49 123.5 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.129999999999995 110.858 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.0 133.3 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 70.319999999999993 111.178 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.76 124.15 27.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.239 -0.437 . . . . 74.209999999999994 110.879 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -122.39 128.8 51.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 74.319999999999993 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.24 117.42 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.6 138.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.25 111.166 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -139.99 139.77 36.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -137.7 128.94 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.591 HD22 ' O ' ' K' ' 104' ' ' GLY . 3.2 tm? -120.78 134.55 55.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 74.549999999999997 110.94 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' MET . . . . . 0.483 ' H ' HD22 ' C' ' 26' ' ' LEU . 4.8 ptp -129.01 135.08 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 110.876 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -162.09 139.97 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' THR . . . . . 0.585 HG23 ' O ' ' I' ' 101' ' ' HIS . 97.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 65.109999999999999 111.102 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.765 0.317 . . . . 75.439999999999998 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.21 153.47 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.430000000000007 110.842 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -153.96 145.67 23.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.349999999999994 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 130.62 3.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 45.229999999999997 112.493 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -119.06 123.21 43.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.450000000000003 111.094 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -123.11 113.13 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.239999999999995 110.873 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.88 138.4 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 61.32 111.138 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.57 134.57 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.450000000000003 110.841 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.39 121.32 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 75.340000000000003 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.96 132.22 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.400000000000006 110.953 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -134.18 147.89 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.400000000000006 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' LYS . . . . . 0.536 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -133.45 143.96 49.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.239999999999995 110.926 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 13' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 4.3 t80 -139.6 122.92 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' LEU . . . . . 0.536 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.4 OUTLIER -122.09 129.79 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 110.876 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.35 123.59 25.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.120000000000005 110.955 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -129.32 120.48 25.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.857 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.582 ' NH1' HD13 ' J' ' 114' ' ' LEU . 8.3 ptm180 -117.06 133.02 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.209999999999994 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.01 122.68 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.409999999999997 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.73 133.42 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.430000000000007 111.062 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 124.28 26.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 51.439999999999998 110.913 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -120.19 131.26 54.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.120000000000005 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -132.75 116.33 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 64.439999999999998 110.862 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -129.58 136.72 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 64.239999999999995 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' J' ' 107' ' ' THR . 2.7 tp-100 -144.02 140.92 29.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 72.400000000000006 110.85 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -139.21 129.74 25.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.319999999999993 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.517 ' C ' HD13 ' D' ' 26' ' ' LEU . 2.9 tm? -120.81 132.01 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.239999999999995 110.924 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' MET . . . . . 0.51 ' N ' HD22 ' D' ' 26' ' ' LEU . 4.3 ptp -127.4 130.68 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 74.340000000000003 110.919 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -164.64 139.91 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 75.019999999999996 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' L' ' 101' ' ' HIS . 97.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 65.049999999999997 111.128 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 64.510000000000005 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 2' ' ' SER . . . . . 0.603 ' HB2' HG23 ' M' ' 129' ' ' THR . 36.4 t -141.51 149.71 41.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 45.200000000000003 110.844 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 3' ' ' GLN . . . . . 0.446 ' OE1' HD22 ' M' ' 126' ' ' LEU . 1.6 tm0? -146.76 149.08 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 71.140000000000001 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.4 128.1 3.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 60.049999999999997 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -124.68 129.75 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 63.450000000000003 111.127 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -123.43 111.34 16.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.239999999999995 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.53 137.31 53.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 72.030000000000001 111.12 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.596 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.2 t -139.08 134.74 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 110.903 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -137.26 133.07 34.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 72.349999999999994 110.803 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -140.13 127.91 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 63.340000000000003 110.92 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 135.99 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.299999999999997 110.866 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 12' ' ' LYS . . . . . 0.629 ' HD3' HD12 ' E' ' 14' ' ' LEU . 2.2 tmmm? -137.27 126.26 24.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 74.530000000000001 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.97 118.3 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 75.049999999999997 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 14' ' ' LEU . . . . . 0.629 HD12 ' HD3' ' E' ' 12' ' ' LYS . 0.2 OUTLIER -109.45 114.76 28.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 75.219999999999999 110.894 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.73 121.95 44.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 64.230000000000004 110.876 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -135.3 138.8 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 74.129999999999995 110.874 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' ARG . . . . . 0.684 ' NE ' HD11 ' N' ' 114' ' ' LEU . 0.3 OUTLIER -145.14 140.65 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.129999999999995 110.922 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.16 143.67 42.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.9 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.56 137.71 48.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.439999999999998 111.172 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.31 126.72 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 110.86 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -132.57 129.78 39.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 54.350000000000001 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.04 124.49 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 74.439999999999998 110.894 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 t -135.53 134.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 71.530000000000001 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.0 OUTLIER -141.16 125.0 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.030000000000001 110.896 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -121.44 131.71 54.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.319999999999993 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' LEU . . . . . 0.678 HD23 HG23 ' M' ' 105' ' ' THR . 3.1 tm? -123.29 132.56 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 73.25 110.947 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.9 ptp -127.94 134.52 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 74.299999999999997 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -162.23 140.99 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.873 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' THR . . . . . 0.51 HG23 ' O ' ' K' ' 101' ' ' HIS . 96.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.129999999999995 111.22 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.744 0.307 . . . . 73.140000000000001 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.66 149.55 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 73.420000000000002 110.862 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -143.97 143.86 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 110.893 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 130.31 3.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.746 -0.74 . . . . 63.310000000000002 112.472 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.22 127.81 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 65.140000000000001 111.084 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -122.78 112.23 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.129999999999995 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.61 135.81 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.177 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.578 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.2 t -133.6 134.77 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 62.219999999999999 110.867 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -140.77 129.72 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 64.310000000000002 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -141.5 127.61 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 75.129999999999995 110.99 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.76 135.75 49.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.230000000000004 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 12' ' ' LYS . . . . . 0.526 ' HD3' HD12 ' F' ' 14' ' ' LEU . 2.3 tmmm? -138.43 125.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 54.240000000000002 110.883 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.73 119.44 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 60.219999999999999 110.93 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 14' ' ' LEU . . . . . 0.526 HD12 ' HD3' ' F' ' 12' ' ' LYS . 0.2 OUTLIER -108.98 113.72 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 71.319999999999993 110.909 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.44 122.92 47.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 75.420000000000002 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -134.32 138.53 45.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 62.210000000000001 110.837 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.32 141.04 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 110.895 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.23 144.22 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 72.230000000000004 110.886 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 19' ' ' ALA . . . . . 0.54 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -131.31 136.42 48.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 54.43 111.119 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 128.08 30.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.901 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -130.83 131.06 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 50.020000000000003 110.802 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.36 123.55 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.409999999999997 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.92 133.69 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 74.150000000000006 111.161 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.46 121.86 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.904 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 25' ' ' TRP . . . . . 0.448 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 17.3 t-105 -122.16 129.0 51.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 110.946 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 26' ' ' LEU . . . . . 0.621 HD23 ' OG1' ' L' ' 105' ' ' THR . 2.8 tm? -125.76 132.12 52.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.020000000000003 110.937 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' F' ' 26' ' ' LEU . 2.9 ptp -129.51 131.5 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.891 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -160.96 140.92 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.150000000000006 110.874 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' THR . . . . . 0.549 HG23 ' O ' ' N' ' 101' ' ' HIS . 96.6 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 111.172 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.883 0.373 . . . . 73.109999999999999 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' SER . . . . . 0.451 ' OG ' HG23 ' O' ' 129' ' ' THR . 0.8 OUTLIER -146.57 153.26 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.895 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.94 155.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 110.95 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.63 128.02 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.804 -0.712 . . . . 64.209999999999994 112.537 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.7 133.2 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 41.32 111.184 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.83 111.39 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.88 139.8 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 70.319999999999993 111.191 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.585 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.4 OUTLIER -139.49 134.68 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 74.400000000000006 110.909 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.22 113.46 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 73.510000000000005 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -118.45 126.26 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.879 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.97 132.12 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 72.400000000000006 110.835 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 12' ' ' LYS . . . . . 0.63 ' CE ' HD11 ' G' ' 14' ' ' LEU . 1.8 ttpm? -136.94 128.08 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.02 127.07 35.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 14' ' ' LEU . . . . . 0.728 HD13 ' CD ' ' M' ' 117' ' ' ARG . 2.4 mp -118.93 113.69 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 72.299999999999997 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.6 120.67 40.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -137.53 142.4 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 65.109999999999999 110.841 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -147.76 148.85 31.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 110.925 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -138.75 143.86 39.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' O' ' 112' ' ' LYS . . . -131.97 135.32 46.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.219999999999999 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.42 129.59 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.099999999999994 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -132.09 131.74 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 110.872 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.73 128.47 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.934 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.12 122.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.150000000000006 111.149 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.84 137.76 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.219999999999999 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 25' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 5.4 p-90 -139.36 143.51 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 71.510000000000005 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 26' ' ' LEU . . . . . 0.656 HD23 ' OG1' ' O' ' 105' ' ' THR . 2.4 tm? -126.36 124.66 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -124.42 132.63 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 55.310000000000002 110.876 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.58 160.81 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.530000000000001 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 29' ' ' THR . . . . . 0.406 HG23 ' O ' ' M' ' 101' ' ' HIS . 9.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 111.119 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 71.040000000000006 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.25 152.51 39.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.540000000000006 110.842 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.95 151.9 37.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 74.109999999999999 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 128.42 2.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 64.030000000000001 112.557 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -123.56 130.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 74.120000000000005 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -131.13 112.74 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.219999999999999 110.902 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 7' ' ' THR . . . . . 0.485 HG23 ' HG3' ' P' ' 124' ' ' GLN . 0.0 OUTLIER -116.27 138.6 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 74.230000000000004 111.196 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.9 134.89 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.040000000000006 110.906 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.56 110.88 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 74.049999999999997 110.848 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -118.19 125.86 51.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.519999999999996 110.914 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.87 130.48 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 31.350000000000001 110.864 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 12' ' ' LYS . . . . . 0.637 ' CE ' HD11 ' H' ' 14' ' ' LEU . 1.8 ttpm? -138.15 129.52 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.200000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 126.15 31.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 71.430000000000007 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 14' ' ' LEU . . . . . 0.637 HD11 ' CE ' ' H' ' 12' ' ' LYS . 2.7 mp -116.03 115.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 62.140000000000001 110.959 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -114.14 121.75 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.239999999999995 110.843 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -135.84 141.53 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 61.140000000000001 110.887 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.13 148.59 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 71.150000000000006 110.897 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -138.17 143.19 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 63.009999999999998 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.2 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.230000000000004 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.39 132.56 42.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.886 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.3 132.17 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.400000000000006 110.851 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.09 130.33 37.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.899 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -145.34 123.53 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 65.030000000000001 111.086 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 24' ' ' GLN . . . . . 0.789 ' HB2' HG22 ' N' ' 107' ' ' THR . 1.2 tm0? -150.54 135.19 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -144.89 142.02 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 71.519999999999996 110.943 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 26' ' ' LEU . . . . . 0.619 HD23 ' OG1' ' N' ' 105' ' ' THR . 3.5 tm? -129.8 121.94 27.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.879 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.04 130.65 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.230000000000004 110.946 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -166.06 160.84 16.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 64.129999999999995 110.879 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 29' ' ' THR . . . . . 0.575 HG23 ' HA ' ' P' ' 102' ' ' SER . 9.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 65.219999999999999 111.114 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 101' ' ' HIS . . . . . 0.585 ' O ' HG23 ' C' ' 29' ' ' THR . 17.8 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 64.450000000000003 110.839 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.0 p -164.99 154.69 13.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.854 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -102.7 127.48 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 63.329999999999998 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.08 9.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 53.32 112.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 105' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -130.41 131.54 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 73.319999999999993 111.104 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -129.16 123.25 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.83 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 107' ' ' THR . . . . . 0.538 HG23 ' CD ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -117.75 126.59 52.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.430000000000007 111.146 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 5.0 p -128.58 124.26 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.239999999999995 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -148.4 143.54 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 51.210000000000001 110.824 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -150.25 140.8 22.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.540000000000006 110.913 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -123.43 146.61 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.219999999999999 110.821 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.98 128.3 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.409999999999997 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -127.95 133.83 49.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 42.100000000000001 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -138.92 116.97 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.409999999999997 110.869 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.83 112.16 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 65.010000000000005 110.894 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 30.1 p -124.54 123.07 39.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 64.329999999999998 110.866 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -137.8 135.56 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 63.039999999999999 110.902 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.35 126.98 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 65.439999999999998 111.056 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -118.84 122.63 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 64.120000000000005 110.935 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -126.97 123.52 37.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 63.219999999999999 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -146.01 146.65 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 110.841 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 123' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' SER . 23.4 m -141.29 163.09 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.5 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -133.87 135.09 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.049999999999997 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.3 131.89 40.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 126' ' ' LEU . . . . . 0.532 HD23 ' N ' ' I' ' 127' ' ' MET . 8.0 tt -129.74 135.65 48.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 73.099999999999994 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 127' ' ' MET . . . . . 0.532 ' N ' HD23 ' I' ' 126' ' ' LEU . 1.4 mmt -134.68 125.75 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 70.439999999999998 110.909 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -132.62 139.53 47.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 65.219999999999999 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 64.439999999999998 111.114 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 17.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 75.310000000000002 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.3 p -164.99 155.06 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.836 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -103.96 125.99 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.925 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 104' ' ' GLY . . . . . 0.503 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -134.03 136.45 8.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 74.239999999999995 112.526 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 129.56 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 64.310000000000002 111.187 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -130.35 120.97 25.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 63.25 110.952 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 107' ' ' THR . . . . . 0.437 HG23 ' HB2' ' D' ' 24' ' ' GLN . 0.2 OUTLIER -116.95 125.17 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.219999999999999 111.105 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -129.44 124.6 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.420000000000002 110.852 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -145.44 148.24 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.409999999999997 110.814 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -146.78 138.78 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.901 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -122.92 145.34 48.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.409999999999997 110.902 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 112' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -136.4 128.52 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.813 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -124.35 134.25 53.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.099999999999994 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -139.52 116.87 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 53.100000000000001 110.92 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.43 110.6 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.409999999999997 110.827 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 29.6 p -126.27 122.25 34.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.149999999999999 110.869 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -138.71 136.09 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.219999999999999 110.922 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.31 150.0 49.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.88 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.77 130.04 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 111.127 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -116.47 124.5 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.913 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.98 124.54 42.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 72.010000000000005 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -147.76 142.73 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.209999999999994 110.852 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.07 158.48 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 64.230000000000004 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -138.49 135.65 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.200000000000003 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.47 133.57 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.25 110.9 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 126' ' ' LEU . . . . . 0.513 HD23 ' N ' ' J' ' 127' ' ' MET . 8.1 tt -129.29 135.39 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 73.310000000000002 110.852 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 127' ' ' MET . . . . . 0.513 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.4 mmt -134.29 129.63 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 72.319999999999993 110.919 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -131.87 137.95 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 42.100000000000001 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.140000000000001 111.152 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 101' ' ' HIS . . . . . 0.51 ' O ' HG23 ' E' ' 29' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 74.540000000000006 110.819 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 64.6 p -164.98 143.68 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.150000000000006 110.862 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.85 127.89 54.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 75.209999999999994 110.915 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 104' ' ' GLY . . . . . 0.591 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -135.7 139.17 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 73.299999999999997 112.435 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 105' ' ' THR . . . . . 0.484 ' OG1' HD23 ' C' ' 26' ' ' LEU . 9.9 m -127.96 122.48 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 75.200000000000003 111.123 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -118.04 119.58 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.400000000000006 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.9 t -120.63 133.79 55.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 71.510000000000005 111.098 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.3 124.61 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 61.420000000000002 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 140.65 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 54.130000000000003 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -138.46 142.97 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 73.409999999999997 110.918 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.25 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.009999999999998 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 112' ' ' LYS . . . . . 0.632 ' NZ ' HD12 ' K' ' 114' ' ' LEU . 21.2 tptp -132.94 129.3 38.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.040000000000006 110.88 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.1 114.95 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.209999999999994 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 114' ' ' LEU . . . . . 0.632 HD12 ' NZ ' ' K' ' 112' ' ' LYS . 0.1 OUTLIER -119.56 110.02 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.874 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.8 109.86 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 63.530000000000001 110.83 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.02 129.58 45.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 72.150000000000006 110.846 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 117' ' ' ARG . . . . . 0.752 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.1 OUTLIER -141.72 145.11 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.109999999999999 110.84 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 147.83 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.37 129.64 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 71.239999999999995 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.33 123.11 40.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 71.030000000000001 110.902 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.95 125.17 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.879 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.38 146.07 30.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.349999999999994 110.847 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 123' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.4 m -145.84 156.96 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 44.509999999999998 111.143 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -131.31 141.22 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.129999999999995 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -135.81 119.35 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.129999999999995 110.869 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 126' ' ' LEU . . . . . 0.431 HD23 ' C ' ' K' ' 126' ' ' LEU . 7.3 tt -111.69 125.64 54.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 62.43 110.984 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -123.04 125.15 44.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.909 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.13 129.88 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.927 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 129' ' ' THR . . . . . 0.588 HG23 ' HB2' ' C' ' 2' ' ' SER . 3.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 111.19 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 101' ' ' HIS . . . . . 0.574 ' O ' HG23 ' D' ' 29' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 71.5 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.15 143.29 6.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.040000000000006 110.833 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.42 125.57 51.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 63.439999999999998 110.885 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 104' ' ' GLY . . . . . 0.47 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -138.7 136.25 7.91 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 72.549999999999997 112.533 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 105' ' ' THR . . . . . 0.621 ' OG1' HD23 ' F' ' 26' ' ' LEU . 11.5 m -129.93 120.78 25.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 75.319999999999993 111.17 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -118.05 117.41 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.530000000000001 110.842 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 107' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 24' ' ' GLN . 1.7 t -121.28 131.25 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.319999999999993 111.179 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.48 124.47 21.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 62.25 110.824 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.93 141.55 47.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.150000000000006 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -137.21 142.66 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.906 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.27 135.06 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 52.329999999999998 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 112' ' ' LYS . . . . . 0.617 ' NZ ' HD12 ' L' ' 114' ' ' LEU . 21.3 tptp -132.09 128.35 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 51.219999999999999 110.899 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.37 114.74 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.340000000000003 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 114' ' ' LEU . . . . . 0.617 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.1 OUTLIER -117.81 111.67 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 72.450000000000003 110.888 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.29 109.64 18.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 63.409999999999997 110.905 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.55 129.68 46.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.439999999999998 110.851 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.55 139.95 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.340000000000003 110.845 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 118' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.1 OUTLIER -137.42 149.82 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.229999999999997 110.887 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.67 131.0 19.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.430000000000007 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.33 123.14 42.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.430000000000007 110.949 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.82 129.9 51.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 72.510000000000005 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -146.36 145.43 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.319999999999993 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 123' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' F' ' 8' ' ' SER . 12.0 m -145.75 154.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.140000000000001 111.174 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.85 140.51 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.420000000000002 110.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.23 120.09 18.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.329999999999998 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 126' ' ' LEU . . . . . 0.422 HD23 ' C ' ' L' ' 126' ' ' LEU . 7.3 tt -113.6 126.4 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 110.94 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -121.28 128.29 52.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 75.439999999999998 110.888 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -128.07 128.92 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 75.329999999999998 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.109999999999999 111.152 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' M' M ' 101' ' ' HIS . . . . . 0.406 ' O ' HG23 ' G' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 72.109999999999999 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 59.4 p -163.33 148.39 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.230000000000004 110.909 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.19 129.44 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.409999999999997 110.872 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 104' ' ' GLY . . . . . 0.557 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -137.43 138.98 10.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.746 . . . . 75.200000000000003 112.522 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 105' ' ' THR . . . . . 0.678 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -129.11 122.76 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 71.239999999999995 111.157 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -118.37 112.74 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.400000000000006 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 107' ' ' THR . . . . . 0.482 HG22 ' HG3' ' E' ' 24' ' ' GLN . 20.4 p -115.79 119.63 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.439999999999998 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -129.77 130.87 45.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.209999999999994 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -139.25 138.0 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -136.03 146.39 47.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 72.129999999999995 110.933 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.46 141.08 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 65.409999999999997 110.848 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.4 134.98 44.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.400000000000006 110.861 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -129.55 117.07 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.099999999999994 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 114' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -122.3 123.84 42.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 75.109999999999999 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.69 110.87 11.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.872 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -130.26 125.25 34.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.430000000000007 110.84 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 117' ' ' ARG . . . . . 0.728 ' CD ' HD13 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -130.47 134.28 46.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.400000000000006 110.882 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 129.54 51.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 63.219999999999999 110.865 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.76 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.510000000000005 111.154 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -135.21 122.11 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.0 130.2 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.129999999999995 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -145.95 146.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.844 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 123' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.6 m -142.86 155.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.530000000000001 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.43 139.94 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 110.934 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -130.6 121.35 25.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.299999999999997 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 126' ' ' LEU . . . . . 0.461 HD23 ' N ' ' M' ' 127' ' ' MET . 6.5 tt -109.39 125.95 52.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.929 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 127' ' ' MET . . . . . 0.461 ' N ' HD23 ' M' ' 126' ' ' LEU . 2.5 mmt -124.64 124.85 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.120000000000005 110.877 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -130.69 134.78 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 62.130000000000003 110.917 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 129' ' ' THR . . . . . 0.603 HG23 ' HB2' ' E' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.25 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 101' ' ' HIS . . . . . 0.549 ' O ' HG23 ' F' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.755 0.312 . . . . 74.239999999999995 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 58.9 p -163.39 148.54 11.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 62.520000000000003 110.903 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 103' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.0 OUTLIER -111.94 127.16 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.219999999999999 110.871 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 104' ' ' GLY . . . . . 0.505 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.09 136.78 7.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.695 -0.764 . . . . 54.030000000000001 112.44 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 105' ' ' THR . . . . . 0.619 ' OG1' HD23 ' H' ' 26' ' ' LEU . 0.2 OUTLIER -128.59 122.07 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 73.019999999999996 111.134 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -119.15 111.86 18.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 107' ' ' THR . . . . . 0.789 HG22 ' HB2' ' H' ' 24' ' ' GLN . 19.9 p -113.49 118.95 35.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 74.340000000000003 111.13 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 15.5 p -129.29 128.0 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.25 110.824 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.81 138.78 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -134.19 146.31 50.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 50.539999999999999 110.876 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.69 141.01 29.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 74.349999999999994 110.84 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 112' ' ' LYS . . . . . 0.54 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 1.1 ttmt -134.13 138.45 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.329999999999998 110.871 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.17 118.32 25.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 114' ' ' LEU . . . . . 0.684 HD11 ' NE ' ' E' ' 17' ' ' ARG . 0.0 OUTLIER -118.94 122.24 41.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 73.319999999999993 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.18 109.08 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.549999999999997 110.917 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 7.4 p -130.55 126.52 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.86 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 129.68 44.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 64.209999999999994 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.16 128.7 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.409999999999997 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.76 132.62 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 51.119999999999997 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -131.03 123.84 29.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 110.882 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.67 129.87 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.821 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -144.64 144.69 31.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 70.099999999999994 110.965 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.21 152.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.155 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.49 138.49 39.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 64.349999999999994 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -130.52 120.6 24.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 62.020000000000003 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 126' ' ' LEU . . . . . 0.436 ' C ' HD23 ' N' ' 126' ' ' LEU . 6.4 tt -111.74 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 62.420000000000002 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 127' ' ' MET . . . . . 0.436 ' N ' HD23 ' N' ' 126' ' ' LEU . 2.5 mmt -125.39 127.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 71.519999999999996 110.88 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -130.61 134.67 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.120000000000005 111.161 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 m170 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 65.400000000000006 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -76.17 143.19 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.420000000000002 110.855 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 147.27 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 62.350000000000001 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 104' ' ' GLY . . . . . 0.552 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.45 136.53 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 62.299999999999997 112.51 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 105' ' ' THR . . . . . 0.656 ' OG1' HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -127.38 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 74.430000000000007 111.105 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 106' ' ' PHE . . . . . 0.483 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 33.5 t80 -129.23 128.9 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 62.409999999999997 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -137.82 125.04 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.319999999999993 111.16 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 11.9 p -142.64 145.72 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 73.109999999999999 110.889 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.78 157.98 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.209999999999994 110.843 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -147.44 144.24 28.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 70.439999999999998 110.915 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.43 141.76 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 65.310000000000002 110.892 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 112' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' G' ' 19' ' ' ALA . 0.2 OUTLIER -135.03 128.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 71.400000000000006 110.916 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.68 124.49 44.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 75.329999999999998 110.894 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -125.3 120.28 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 43.509999999999998 110.882 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -129.47 112.27 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.858 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 122.12 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.140000000000001 110.919 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 130.8 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.835 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.95 119.36 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 70.120000000000005 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.24 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.119 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.03 122.41 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.510000000000005 110.878 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.02 126.68 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.439999999999998 110.853 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -137.05 144.46 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.310000000000002 110.841 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 123' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' G' ' 8' ' ' SER . 10.6 m -142.81 157.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.420000000000002 111.187 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -134.79 140.8 46.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.319999999999993 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.13 123.3 24.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.450000000000003 110.936 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' P' ' 126' ' ' LEU . 6.4 tt -115.54 130.4 56.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 127' ' ' MET . . . . . 0.545 ' N ' HD23 ' O' ' 126' ' ' LEU . 3.1 mmt -129.63 124.98 35.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.94 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.72 131.9 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 64.510000000000005 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 129' ' ' THR . . . . . 0.451 HG23 ' OG ' ' G' ' 2' ' ' SER . 3.6 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 47.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.822 0.344 . . . . 73.349999999999994 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 102' ' ' SER . . . . . 0.575 ' HA ' HG23 ' H' ' 29' ' ' THR . 5.4 m -75.3 142.56 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 64.099999999999994 110.803 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 146.6 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.109999999999999 110.899 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.37 138.7 6.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 44.140000000000001 112.524 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.04 135.15 49.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 64.219999999999999 111.164 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.58 129.22 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 64.450000000000003 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -136.7 125.63 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.040000000000006 111.207 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 12.2 p -144.26 144.66 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 44.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.34 158.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 71.540000000000006 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -147.69 143.47 27.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.310000000000002 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.11 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 54.109999999999999 110.847 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.93 128.24 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 73.409999999999997 110.896 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -121.74 125.49 46.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.540000000000006 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -123.02 120.95 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -131.86 109.88 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.340000000000003 110.86 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.28 123.35 37.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 73.010000000000005 110.826 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.95 130.94 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 110.902 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.79 120.01 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 63.210000000000001 110.813 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.63 123.48 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 62.420000000000002 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.49 124.85 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 74.329999999999998 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.88 124.09 28.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 53.310000000000002 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -135.59 143.95 45.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 53.210000000000001 110.864 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.97 155.24 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 54.549999999999997 111.112 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 124' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' H' ' 7' ' ' THR . 40.7 tt0 -135.83 139.95 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.209999999999994 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -131.61 124.24 29.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 74.530000000000001 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' O' ' 126' ' ' LEU . 6.2 tt -118.08 128.22 54.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 63.439999999999998 110.946 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' P' ' 126' ' ' LEU . 3.1 mmt -128.66 128.74 44.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.109999999999999 110.881 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.75 132.46 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 70.319999999999993 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 71.540000000000006 111.159 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.784 0.326 . . . . 65.12 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.21 121.3 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 m -133.49 124.87 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 74.43 111.142 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.4 p -127.94 134.76 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 54.54 110.878 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.23 129.97 34.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 74.04 110.838 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -143.87 121.71 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.915 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 130.51 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 65.33 110.873 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HG3' ' HB2' ' I' ' 119' ' ' ALA . 0.0 OUTLIER -137.51 136.03 37.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.916 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.88 143.5 50.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' I' ' 117' ' ' ARG . 2.9 tp -134.09 115.49 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 74.25 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -118.35 125.09 49.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.849 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -132.48 143.35 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.838 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -143.19 135.15 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 72.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -129.89 128.5 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 65.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.86 142.0 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 35.14 111.064 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.48 124.06 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.12 135.74 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.64 127.78 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.02 110.923 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -135.92 116.94 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 74.23 111.133 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -145.07 139.11 27.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -149.45 141.68 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.922 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.787 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.1 pp -136.59 137.06 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 63.02 110.875 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.44 136.74 50.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.864 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.25 176.88 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.909 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.168 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.813 0.339 . . . . 62.35 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -153.46 164.6 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.889 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -166.86 167.18 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 130.35 2.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.703 -0.761 . . . . 64.32 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.715 ' CG2' HD12 ' J' ' 126' ' ' LEU . 2.0 p -122.61 138.7 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 54.21 111.147 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 126.32 20.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' HB3' ' J' ' 124' ' ' GLN . 11.3 m -128.81 127.42 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 60.42 111.118 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -126.19 135.54 51.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 72.1 110.81 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 131.24 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 64.32 110.859 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -139.95 125.19 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 134.58 38.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 74.52 110.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 139.7 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.48 140.46 51.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.932 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' J' ' 117' ' ' ARG . 4.2 tp -136.15 113.55 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -122.0 123.15 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.83 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -131.19 143.79 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 51.11 110.853 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -142.55 131.68 23.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.925 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -132.39 129.72 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.87 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -127.32 140.38 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.15 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.94 123.93 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 63.23 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -119.17 135.91 54.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.845 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.78 125.71 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -138.59 120.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 55.24 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -139.11 142.09 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.915 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -144.47 138.59 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.58 137.84 42.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.948 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.81 136.41 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.875 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.426 HD21 ' NE2' ' J' ' 103' ' ' GLN . 4.5 p30 -156.84 177.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 70.24 110.865 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.434 HG23 ' HA ' ' J' ' 102' ' ' SER . 8.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.1 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 72.21 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.74 160.98 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 51.54 110.832 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -160.55 136.63 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 63.01 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.17 128.54 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 55.02 112.5 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.98 HG22 HD12 ' I' ' 126' ' ' LEU . 16.6 p -127.44 116.65 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 71.15 111.136 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -123.57 143.56 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.8 151.07 35.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 70.32 111.144 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.65 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -145.48 134.44 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.24 110.87 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 122.57 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.872 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -132.35 122.63 25.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.917 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 138.38 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 64.41 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 137.81 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.939 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -131.78 135.07 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 42.21 110.957 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -127.65 123.17 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 64.04 110.932 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -128.79 123.55 33.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.3 110.848 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.15 121.3 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.869 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -121.79 136.56 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -134.48 129.35 35.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.13 110.886 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . 0.422 ' HB1' ' OH ' ' I' ' 110' ' ' TYR . . . -129.42 142.22 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 70.32 111.092 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -143.78 135.87 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.947 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.77 135.42 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.906 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.25 132.02 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.877 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' I' ' 106' ' ' PHE . 92.2 t -133.72 124.39 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 61.25 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -135.6 133.05 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 73.25 110.953 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.07 130.15 38.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.4 OUTLIER -129.12 124.02 33.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.954 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.86 135.29 54.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.906 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -161.45 175.7 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 65.11 111.091 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.69 160.4 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.866 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.79 133.62 8.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.45 130.18 5.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 45.23 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . 0.421 HG21 HG21 ' C' ' 5' ' ' THR . 18.2 p -123.98 115.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.45 111.144 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -122.92 146.26 47.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 64.24 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.44 150.23 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 61.32 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.577 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.9 t -141.74 134.86 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.829 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.17 121.27 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.34 110.885 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.81 122.99 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 70.4 110.925 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 138.44 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 64.4 110.824 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.56 137.78 32.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 74.24 110.865 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -131.39 134.11 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.0 122.54 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.932 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -130.13 124.03 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.85 119.85 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -122.66 135.03 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -136.92 131.57 33.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.736 ' HB2' ' HE3' ' L' ' 112' ' ' LYS . . . -128.85 141.35 51.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.43 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -144.38 136.46 26.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 51.44 110.958 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -136.41 136.36 39.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.12 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -125.4 130.78 52.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . 0.411 HG13 ' HE1' ' L' ' 106' ' ' PHE . 47.7 t -136.83 126.36 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.24 111.195 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -134.73 132.18 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.904 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.06 129.33 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.949 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.62 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.4 OUTLIER -131.01 121.97 25.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.945 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.52 129.52 52.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.844 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -163.39 177.22 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 65.05 111.153 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 64.51 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.46 157.06 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 45.2 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . 0.554 HE22 HD11 ' N' ' 126' ' ' LEU . 1.1 tm0? -155.55 129.82 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 71.14 110.922 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.18 132.22 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 60.05 112.508 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -128.43 118.17 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 63.45 111.138 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -125.87 121.11 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 75.24 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . 0.44 HG22 ' HB3' ' M' ' 124' ' ' GLN . 11.0 t -132.1 145.87 51.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.138 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.589 ' HA ' HG12 ' M' ' 123' ' ' VAL . 3.0 t -137.94 134.91 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.845 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.02 118.53 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.818 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -129.48 120.34 25.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.952 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 130.3 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 153.49 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.9 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -144.77 139.99 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -131.93 131.74 42.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.22 110.911 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.3 126.3 33.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.875 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -134.18 120.99 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.563 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -122.3 136.39 54.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -132.87 129.59 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' K' ' 112' ' ' LYS . . . -126.48 140.21 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.096 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -142.66 136.03 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -137.13 136.46 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.909 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.8 130.22 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.31 123.38 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.53 111.166 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.3 123.94 35.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.1 131.47 56.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 70.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.708 ' HG ' HG23 ' M' ' 105' ' ' THR . 0.5 OUTLIER -132.38 128.8 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.897 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.63 133.37 48.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.894 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -161.78 176.99 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.872 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.17 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.843 0.354 . . . . 73.14 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.23 157.14 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -154.04 129.75 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.86 133.1 6.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 63.31 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -125.96 118.55 25.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 65.14 111.162 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -124.86 123.65 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 73.13 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . 0.744 HG22 ' HG3' ' L' ' 124' ' ' GLN . 12.6 t -127.63 144.64 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 73.13 111.14 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -135.1 135.14 40.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.22 110.851 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.56 116.93 11.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 64.31 110.842 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -129.23 120.86 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.906 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.09 133.2 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.901 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.44 ' CD ' HD11 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -133.31 153.38 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 54.24 110.92 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -144.57 137.23 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 60.22 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' F' ' 12' ' ' LYS . 1.2 mp -132.0 130.15 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.941 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -134.83 126.01 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.866 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 49.7 p -133.27 119.55 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 62.21 110.858 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . 0.415 ' HB2' ' HZ1' ' N' ' 112' ' ' LYS . 7.0 ptm180 -124.45 134.36 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -134.61 131.71 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.23 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . 0.436 ' HB2' ' HE2' ' N' ' 112' ' ' LYS . . . -124.71 139.89 53.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 54.43 111.156 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -141.52 138.11 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -136.62 137.49 40.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 50.02 110.934 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.17 129.44 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.9 121.85 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.131 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.87 120.39 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.23 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.8 129.3 54.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.598 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.5 OUTLIER -134.41 129.82 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 50.02 110.938 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.24 128.69 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -164.5 177.35 8.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.15 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.106 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 73.11 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.09 154.35 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.896 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . 0.569 HE22 HD11 ' P' ' 126' ' ' LEU . 1.1 tm0? -152.24 129.87 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.87 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -130.5 132.6 6.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 64.21 112.455 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -126.92 120.9 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 41.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -125.96 112.77 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -125.47 147.44 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 70.32 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.602 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -141.63 135.27 29.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.815 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.45 122.33 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 73.51 110.87 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.26 129.33 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.922 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 30.1 t -140.04 128.57 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -132.39 144.58 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.43 110.887 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -140.18 136.9 33.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' O' ' 117' ' ' ARG . 1.6 mp -130.51 124.37 31.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -124.92 123.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.885 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.18 120.14 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.11 110.893 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.2 ptm180 -124.33 134.98 53.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -129.03 130.01 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.18 131.59 54.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.112 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.93 124.23 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.94 127.46 34.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.09 134.15 55.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.919 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.95 135.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.15 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -144.74 122.91 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 52.22 110.883 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.52 129.64 51.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.51 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.685 HD23 ' O ' ' O' ' 104' ' ' GLY . 0.3 OUTLIER -131.71 142.58 49.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.924 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.423 ' HE1' ' HA3' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -144.29 130.34 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 55.31 110.855 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -164.99 144.17 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.01 111.143 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 71.04 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.01 154.1 36.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.881 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -150.67 129.57 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.6 133.27 6.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 64.03 112.503 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . 0.436 HG22 HD12 ' P' ' 126' ' ' LEU . 12.7 p -125.1 120.3 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 74.12 111.157 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -126.06 116.16 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 147.85 45.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.149 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -137.33 135.06 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.863 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.63 120.23 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.05 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -132.1 132.44 43.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.52 110.911 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -137.36 130.11 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 31.35 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -129.63 145.79 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -139.74 134.82 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.879 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.619 HD13 ' CD ' ' P' ' 117' ' ' ARG . 1.6 mp -130.85 122.99 28.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.14 110.915 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -128.78 122.78 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.859 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.19 119.77 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 61.14 110.873 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.6 132.84 52.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -129.53 130.06 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.01 110.879 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' P' ' 112' ' ' LYS . . . -122.81 131.52 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.121 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.6 125.37 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 62.42 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.79 128.06 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.32 134.59 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.921 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -141.37 133.26 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 65.03 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' N' ' 107' ' ' THR . 2.8 tp-100 -146.88 120.78 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.929 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -124.15 130.68 52.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.3 OUTLIER -132.95 143.74 49.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.894 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . 0.428 ' HE1' ' HA3' ' N' ' 104' ' ' GLY . 0.0 OUTLIER -143.7 130.18 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.862 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -165.29 144.32 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.13 110.841 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.599 HG23 ' HA ' ' P' ' 102' ' ' SER . 3.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.22 111.121 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 64.45 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.68 160.33 26.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.9 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -108.22 126.96 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.11 138.93 10.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 53.32 112.465 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.787 HG23 ' HB3' ' A' ' 26' ' ' LEU . 3.8 m -134.72 126.47 29.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.343 . . . . 73.32 111.118 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . 0.561 ' HE1' HG13 ' C' ' 23' ' ' VAL . 21.7 t80 -126.24 130.9 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . 0.407 ' O ' HG23 ' I' ' 107' ' ' THR . 4.3 t -137.09 117.65 13.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.16 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -135.52 143.39 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.842 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -141.33 143.81 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 51.21 110.854 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . 0.422 ' OH ' ' HB1' ' C' ' 19' ' ' ALA . 5.4 t80 -130.3 128.57 41.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.928 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -122.41 134.53 54.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.22 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -133.41 130.62 38.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -132.19 119.82 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 42.1 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' J' ' 114' ' ' LEU . 0.1 OUTLIER -120.36 136.32 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.41 110.878 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -141.88 111.78 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 65.01 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.46 34.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 64.33 110.84 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . 0.541 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.15 141.07 46.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.881 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.21 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.875 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . . . -138.64 123.06 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.44 111.142 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.34 126.92 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 64.12 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.7 120.53 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -140.22 141.48 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 64.12 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 8' ' ' SER . 4.6 m -143.73 160.68 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.47 144.36 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 31.0 p-90 -142.49 139.33 31.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.942 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.98 HD12 HG22 ' C' ' 5' ' ' THR . 2.1 tt -132.87 139.9 47.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 73.1 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.1 125.46 37.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.881 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.35 136.72 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.22 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 64.44 111.171 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 75.31 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . 0.434 ' HA ' HG23 ' B' ' 29' ' ' THR . 3.1 p -122.32 161.24 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 53.43 110.822 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . 0.426 ' NE2' HD21 ' B' ' 28' ' ' ASN . 1.2 tm0? -107.55 125.42 51.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.897 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . 0.62 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.27 137.13 9.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 74.24 112.512 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . 0.405 HG23 ' HG ' ' D' ' 26' ' ' LEU . 3.6 m -131.29 126.94 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 64.31 111.126 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -127.12 131.21 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 63.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 4.4 t -135.4 120.18 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 73.22 111.147 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -136.33 134.69 38.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.27 145.29 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 71.41 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.62 127.5 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.929 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -121.7 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.829 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.53 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 10.8 tppt? -134.25 130.22 36.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -130.8 120.21 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -120.02 136.4 54.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 53.1 110.895 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -139.72 109.66 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.908 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.95 121.85 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 53.15 110.827 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -134.93 140.8 46.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.22 110.897 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 145.31 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.7 123.61 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.03 111.082 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.41 128.98 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.906 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.1 123.84 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -136.81 138.33 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.875 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' D' ' 8' ' ' SER . 6.3 m -144.07 157.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.23 111.138 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . 0.813 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -154.85 144.74 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.2 110.939 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -140.62 141.2 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' B' ' 5' ' ' THR . 1.1 tt -133.12 138.86 46.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.24 126.83 39.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 135.27 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 42.1 110.917 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.169 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 74.54 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.4 156.1 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 129.2 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.659 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -133.18 138.13 9.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.3 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.802 HG23 ' HG ' ' C' ' 26' ' ' LEU . 2.0 m -132.48 123.4 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 75.2 111.188 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -124.9 125.12 43.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.94 116.3 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.116 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 6.6 p -130.55 133.83 46.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 61.42 110.876 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.28 135.03 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.13 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.5 131.62 52.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.51 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 63.01 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' E' ' 19' ' ' ALA . 1.1 tppm? -136.29 134.1 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.04 110.879 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -136.59 123.45 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -125.83 122.52 36.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.895 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.7 111.86 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.836 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 26.2 p -126.58 128.22 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.15 110.858 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.548 HH21 ' HB2' ' K' ' 119' ' ' ALA . 4.9 ptm180 -140.8 142.37 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.11 110.859 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.64 144.59 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.827 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . 0.548 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -140.69 123.1 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.1 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.52 128.3 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.03 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -135.4 122.02 20.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -136.98 141.4 42.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.89 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' C' ' 8' ' ' SER . 11.3 m -140.94 162.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 44.51 111.154 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -140.67 151.13 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.13 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -150.58 120.18 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' L' ' 126' ' ' LEU . 0.9 OUTLIER -124.53 128.83 49.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.95 124.86 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.52 135.31 53.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.881 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.152 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 71.5 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.67 156.26 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.04 110.887 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.35 125.26 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.598 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.75 138.2 9.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 72.55 112.45 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.37 124.05 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 75.32 111.133 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . 0.411 ' HE1' HG13 ' D' ' 23' ' ' VAL . 9.6 t80 -125.54 125.88 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.87 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.01 116.25 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.32 111.088 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 6.5 p -129.23 128.58 43.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 62.25 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.1 135.79 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.871 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -125.58 129.47 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.921 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.13 134.43 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 52.33 110.878 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.736 ' HE3' ' HB2' ' D' ' 19' ' ' ALA . 1.1 tppm? -138.92 135.03 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 51.22 110.884 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -134.95 124.16 24.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -125.68 122.64 36.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 72.45 110.934 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.43 110.7 13.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.835 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 26.5 p -126.74 129.24 48.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.505 HH21 ' HB2' ' L' ' 119' ' ' ALA . 5.1 ptm180 -140.54 141.88 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.35 145.62 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 63.23 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . 0.505 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -139.57 124.86 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.068 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -129.68 128.18 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -135.95 124.59 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -136.3 139.89 42.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.894 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.2 m -141.14 158.91 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.14 111.148 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . 0.744 ' HG3' HG22 ' F' ' 7' ' ' THR . 1.2 pp0? -144.31 153.46 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -150.02 122.42 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.939 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -125.74 130.87 52.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 71.45 110.905 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 129.15 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.893 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.89 133.24 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 54.11 111.119 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.354 . . . . 72.11 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.56 163.2 30.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.852 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 130.21 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.22 138.38 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 75.2 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.708 HG23 ' HG ' ' E' ' 26' ' ' LEU . 4.3 m -132.27 135.27 46.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 71.24 111.162 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.97 115.8 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.53 121.0 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.149 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.22 134.13 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.823 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.72 135.53 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 134.27 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.887 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 65.8 m -137.53 134.5 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 65.41 110.867 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . 0.451 ' HZ1' ' HB2' ' G' ' 17' ' ' ARG . 0.2 OUTLIER -138.31 131.39 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.899 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -132.82 117.0 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.1 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.495 HD13 HD13 ' N' ' 114' ' ' LEU . 0.1 OUTLIER -121.55 118.82 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.11 110.927 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.57 111.51 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.829 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -130.71 127.41 38.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . 0.629 ' HD2' HD23 ' E' ' 14' ' ' LEU . 1.1 ptm180 -144.43 145.24 31.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.4 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.46 154.52 49.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . 0.454 ' HB2' ' NH2' ' M' ' 117' ' ' ARG . . . -142.29 129.66 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.51 111.128 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.82 122.28 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.918 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -130.39 121.25 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.865 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -138.06 141.22 40.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.869 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.5 m -143.07 154.29 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.53 111.104 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . 0.44 ' HB3' HG22 ' E' ' 7' ' ' THR . 6.3 tt0 -130.39 140.2 50.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -138.99 114.46 9.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.923 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' N' ' 126' ' ' LEU . 1.8 tt -120.75 131.42 54.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.943 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.19 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.24 132.83 53.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.13 110.837 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.168 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 74.24 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.29 163.08 30.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.828 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.68 126.39 52.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 70.22 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.474 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.09 137.74 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 54.03 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 4.2 m -128.56 134.64 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 73.02 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -134.26 114.3 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . 0.403 HG23 ' NE2' ' H' ' 24' ' ' GLN . 0.2 OUTLIER -111.41 122.2 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.135 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.31 131.33 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 63.25 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.83 138.49 37.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.911 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.57 133.37 48.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 50.54 110.931 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 65.5 m -135.05 134.67 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -141.37 130.62 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.89 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -131.5 116.81 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.563 HD11 ' HD3' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -121.81 117.86 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.933 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -127.57 110.14 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.55 110.868 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -129.55 130.36 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.841 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . 0.53 ' NH2' ' HB2' ' N' ' 119' ' ' ALA . 1.3 ptm180 -145.39 144.61 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 155.15 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . 0.53 ' HB2' ' NH2' ' N' ' 117' ' ' ARG . . . -142.6 130.02 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.12 111.059 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -127.72 122.27 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.935 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -130.9 122.42 26.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -136.33 142.56 43.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 70.1 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 10.2 m -142.85 150.69 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 75.12 111.152 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -133.77 140.52 47.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.35 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.41 116.21 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 62.02 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' M' ' 126' ' ' LEU . 1.6 tt -121.19 132.11 54.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.14 125.65 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.52 110.86 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -122.99 132.46 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.123 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 31.8 m170 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.806 0.336 . . . . 65.4 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -111.28 178.56 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.53 139.37 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 62.35 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.685 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -143.54 138.7 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 62.3 112.482 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -128.6 140.23 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 74.43 111.151 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -135.19 113.21 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.41 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -110.96 133.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -143.35 135.53 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.848 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -142.72 136.28 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.842 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -128.29 127.85 43.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.935 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.18 134.95 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 65.31 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.31 136.36 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.927 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -130.26 118.77 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.444 HD22 HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -120.48 116.06 24.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 43.51 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.07 112.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.87 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.16 127.93 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.14 110.861 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' G' ' 14' ' ' LEU . 4.6 ptm180 -141.06 152.81 45.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.888 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.52 145.97 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 70.12 110.847 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.57 123.83 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.33 122.11 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 64.51 110.904 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -130.75 123.44 29.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -141.5 142.3 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.31 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.1 m -142.67 158.72 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 75.42 111.141 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.93 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.932 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.75 114.69 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.432 ' C ' HD23 ' O' ' 126' ' ' LEU . 3.8 tt -120.43 133.41 55.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.401 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.2 mmt -128.49 124.29 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.853 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.85 133.23 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.133 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 73.35 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . 0.599 ' HA ' HG23 ' H' ' 29' ' ' THR . 83.7 p -111.68 179.94 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.1 110.883 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.72 139.86 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.11 110.94 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.76 139.53 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 44.14 112.503 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.8 t -128.41 139.19 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 64.22 111.119 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -136.75 111.04 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -114.23 131.97 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.04 111.173 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -144.21 135.07 25.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 44.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -141.53 135.83 30.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -127.91 127.62 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.54 134.47 39.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 54.11 110.861 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -138.84 136.11 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 73.41 110.922 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.14 118.35 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 64.54 110.898 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -118.43 117.56 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.954 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.87 111.29 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.901 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.78 130.51 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.871 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' H' ' 14' ' ' LEU . 5.3 ptm180 -140.37 153.44 46.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.844 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.77 147.63 35.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.857 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' P' ' 117' ' ' ARG . . . -137.29 123.51 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 62.42 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.84 122.35 37.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -133.9 121.72 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 53.31 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -141.08 142.31 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 53.21 110.856 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.12 156.14 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 54.55 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.69 134.28 37.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.897 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.96 116.15 14.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.569 HD11 HE22 ' G' ' 3' ' ' GLN . 3.7 tt -120.61 133.63 55.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.909 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.3 mmt -128.4 125.49 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.866 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.21 134.17 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.54 111.157 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.837 0.351 . . . . 65.12 111.091 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -125.27 112.1 16.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 65.02 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -126.3 148.51 49.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 74.43 111.102 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.672 ' HA ' HG12 ' I' ' 123' ' ' VAL . 9.4 t -150.85 134.57 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 54.54 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.01 130.12 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.04 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -138.89 128.64 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.94 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -138.68 140.86 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 65.33 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.97 136.87 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -136.43 132.03 34.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.7 124.52 43.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.927 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.74 125.38 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.893 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -136.32 126.11 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.903 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.8 ptm180 -129.89 138.05 50.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.926 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -128.45 122.7 31.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 65.11 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 124.55 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 35.14 111.102 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -131.01 124.34 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.828 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -122.98 135.81 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.858 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.65 135.11 52.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -143.9 118.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.23 111.082 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.16 135.79 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.887 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -139.99 138.21 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' I' ' 105' ' ' THR . 3.5 tp -134.71 129.46 34.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 63.02 110.922 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.542 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -128.3 154.04 46.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.895 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -164.57 172.2 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.153 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.767 0.318 . . . . 62.35 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -143.27 154.86 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.804 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.98 163.13 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 75.14 110.911 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.61 136.38 4.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 64.32 112.562 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -124.81 122.52 37.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 54.21 111.189 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.64 116.33 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.21 110.935 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.555 HG23 ' HB2' ' J' ' 124' ' ' GLN . 5.2 m -118.77 150.41 39.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.42 111.171 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -143.09 135.82 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.57 129.79 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 64.32 110.875 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -137.01 130.66 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.7 t -136.29 141.17 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.52 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.12 139.82 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.889 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -133.5 131.8 40.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 71.54 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.403 ' O ' HD23 ' B' ' 14' ' ' LEU . 5.4 tt -122.94 121.74 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 73.44 110.896 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.61 125.44 38.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.833 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -136.05 126.44 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 51.11 110.81 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -129.63 134.97 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 72.33 110.814 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -132.28 123.57 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.896 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.5 125.15 48.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 72.15 111.146 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -132.12 124.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -121.94 135.33 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -125.96 132.86 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.13 122.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 55.24 111.134 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.86 138.09 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -137.34 136.5 38.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.51 HD12 ' N ' ' B' ' 27' ' ' MET . 5.1 tp -135.38 128.97 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.93 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . 0.51 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -126.26 151.01 48.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.882 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -164.79 171.66 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 70.24 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 61.1 111.161 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.826 0.346 . . . . 72.21 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.6 143.79 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 51.54 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . 0.521 ' NE2' HD22 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -158.7 135.9 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 63.01 110.908 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 127.89 4.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 55.02 112.48 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.26 124.75 43.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.15 111.141 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.47 112.44 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.865 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.3 144.43 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.32 111.132 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.673 ' HA ' HG12 ' K' ' 123' ' ' VAL . 10.0 t -142.97 134.76 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.16 121.5 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.847 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -130.94 123.89 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.928 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -134.59 143.78 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 64.41 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.5 OUTLIER -150.6 142.84 24.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.872 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.18 129.78 24.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 42.21 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' C' ' 12' ' ' LYS . 1.9 mp -119.32 125.01 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 64.04 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -126.18 123.6 38.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.838 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -134.63 129.02 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.813 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.466 ' HE ' HD11 ' L' ' 114' ' ' LEU . 0.2 OUTLIER -135.48 139.97 44.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.919 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -133.16 137.05 46.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.853 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.91 136.36 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.14 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.87 133.88 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -132.95 129.02 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.73 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.93 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.56 135.37 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.99 121.63 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.77 129.14 55.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 74.24 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.677 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -135.61 126.15 26.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . 0.521 ' N ' HD22 ' C' ' 26' ' ' LEU . 0.0 OUTLIER -141.49 129.74 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.905 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -160.28 147.17 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.81 HG23 ' HA ' ' K' ' 101' ' ' HIS . 1.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 65.11 111.096 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.353 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . 0.618 ' HB3' HG23 ' L' ' 129' ' ' THR . 1.4 t -132.72 143.68 49.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.826 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.14 131.66 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 128.64 4.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 45.23 112.519 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -123.95 121.27 34.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 72.45 111.098 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -130.47 113.18 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.831 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.78 145.11 43.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 61.32 111.108 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.423 ' HA ' HG12 ' J' ' 123' ' ' VAL . 10.0 t -137.79 135.1 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.71 120.66 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.958 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -129.67 124.07 32.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 70.4 110.835 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -132.94 142.08 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 64.4 110.829 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . 0.567 ' NZ ' HD11 ' D' ' 14' ' ' LEU . 0.5 OUTLIER -149.7 143.45 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.933 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -139.64 129.67 25.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.973 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.719 HD13 ' CD ' ' L' ' 117' ' ' ARG . 1.9 mp -119.73 122.05 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.928 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.21 123.1 33.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.809 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -134.66 129.46 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.877 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.11 136.53 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 72.21 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -135.12 137.6 42.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.82 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.498 ' HB2' ' HZ1' ' L' ' 112' ' ' LYS . . . -128.49 134.23 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.43 111.133 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.36 135.06 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 51.44 110.913 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -134.08 130.26 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.91 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 124.67 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 64.44 110.901 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . 0.538 HG13 ' HE1' ' L' ' 106' ' ' PHE . 42.7 t -135.6 135.29 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 64.24 111.126 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 119.72 11.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 72.4 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' L' ' 106' ' ' PHE . 0.0 OUTLIER -120.47 127.15 51.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.26 -0.427 . . . . 70.32 110.89 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.536 HD13 ' C ' ' D' ' 26' ' ' LEU . 2.9 tm? -136.68 132.15 34.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.955 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . 0.508 ' N ' HD22 ' D' ' 26' ' ' LEU . 0.0 OUTLIER -140.41 129.44 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.859 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -162.01 147.94 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.92 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 65.05 111.235 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.812 0.339 . . . . 64.51 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -137.78 147.3 44.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 45.2 110.856 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . 0.437 HE22 HD21 ' N' ' 126' ' ' LEU . 1.7 pt20 -167.94 134.92 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 71.14 110.943 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.99 126.16 5.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.766 -0.731 . . . . 60.05 112.481 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -128.97 120.04 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 63.45 111.116 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -125.54 111.93 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.849 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -120.89 141.45 50.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.03 111.06 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.62 ' HA ' HG12 ' M' ' 123' ' ' VAL . 5.8 t -134.96 135.07 41.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 72.42 110.855 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.01 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.826 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -132.56 119.13 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 63.34 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -129.44 138.51 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.805 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -144.04 142.56 30.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -138.82 131.24 28.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.05 110.871 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.3 120.95 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 75.22 110.854 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.68 122.17 39.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.879 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.84 130.39 37.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.552 ' NH1' HD13 ' M' ' 114' ' ' LEU . 8.3 ptm180 -132.69 137.32 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -133.55 136.77 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.804 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.35 134.92 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.44 111.066 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -132.96 130.7 39.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.85 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 54.35 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -131.56 131.31 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' K' ' 106' ' ' PHE . 20.8 t -137.63 125.11 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 71.53 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.52 124.69 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.03 110.95 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.04 131.26 56.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 70.32 110.888 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.06 122.78 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.25 110.909 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 130.9 51.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.85 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -159.48 128.95 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . 0.632 HG21 ' CD2' ' M' ' 101' ' ' HIS . 97.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.124 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 73.14 110.831 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -137.39 149.48 46.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.91 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -159.15 129.71 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.67 128.57 5.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.78 -0.724 . . . . 63.31 112.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . 0.943 HG22 HD23 ' N' ' 126' ' ' LEU . 10.6 p -123.68 118.51 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 65.14 111.192 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -127.18 112.54 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.879 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -119.04 137.9 53.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.13 111.141 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -133.35 135.56 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 62.22 110.857 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -140.37 121.56 14.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 64.31 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -129.94 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.96 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -127.56 136.67 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.857 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 12.6 ptmt -143.41 143.24 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 54.24 110.952 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.79 125.43 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 60.22 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 122.7 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 71.32 110.949 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -124.53 122.51 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.899 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.68 128.78 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 62.21 110.875 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . 0.481 ' NH1' HD13 ' L' ' 114' ' ' LEU . 7.4 ptm180 -132.21 136.1 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.837 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.77 136.96 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.852 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.16 134.55 47.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.43 111.06 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -133.02 132.31 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -134.87 134.65 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 50.02 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.7 130.57 44.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.918 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.83 123.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.12 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 121.11 18.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.942 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.43 130.4 55.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.531 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -132.67 124.24 27.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 50.02 110.851 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.47 128.81 48.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.856 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.63 130.33 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.935 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . 0.617 ' HG1' ' N ' ' L' ' 101' ' ' HIS . 96.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.51 111.113 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 73.11 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.92 145.06 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.833 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -165.01 139.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.927 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -132.88 130.79 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 64.21 112.462 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -124.38 122.63 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 41.32 111.205 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -127.73 113.31 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -125.4 146.42 49.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.32 111.094 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.608 ' HA ' HG12 ' O' ' 123' ' ' VAL . 13.5 t -141.19 135.14 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.918 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.02 126.5 25.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 73.51 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -137.26 119.89 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.906 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -132.71 130.86 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 72.4 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.33 145.73 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 71.43 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -139.96 137.39 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.897 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 128.68 44.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.947 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -129.34 123.31 31.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.855 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.32 123.11 27.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.11 110.859 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -124.37 136.85 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.97 43.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 72.22 111.079 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.33 126.97 44.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.935 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -132.25 120.24 21.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.828 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -118.89 126.88 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.866 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.12 123.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 72.15 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.13 124.55 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.22 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 131.2 56.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.478 HD13 ' C ' ' G' ' 26' ' ' LEU . 2.6 tm? -131.84 117.4 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.882 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 19.1 mtm -116.01 130.51 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 55.31 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -164.56 132.62 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 64.53 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . 0.445 HG23 ' HB3' ' M' ' 102' ' ' SER . 5.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 74.01 111.112 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.799 0.333 . . . . 71.04 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.67 147.02 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.827 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.47 134.63 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 133.41 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.545 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . 0.532 HG22 HD12 ' P' ' 126' ' ' LEU . 12.5 p -120.79 121.73 38.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 74.12 111.106 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -125.93 115.73 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.22 110.861 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -121.02 146.85 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.23 111.118 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -136.86 135.31 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.21 124.39 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.833 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -135.21 118.85 17.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.875 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -129.68 132.14 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 31.35 110.804 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.0 145.62 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.93 132.7 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -128.76 127.54 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 62.14 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -131.92 122.85 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.846 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 123.39 34.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.14 110.866 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -125.4 133.13 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.15 110.806 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.59 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.01 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 128.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.23 111.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -123.88 128.07 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 62.42 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -132.85 119.53 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.822 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -117.65 127.98 54.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.01 122.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.03 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.75 121.05 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.15 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.455 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.2 tm? -131.99 115.73 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.895 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . 0.441 ' N ' HD22 ' H' ' 26' ' ' LEU . 17.1 mtm -116.32 128.55 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.878 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -165.05 132.81 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.13 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.621 HG23 ' HA ' ' P' ' 102' ' ' SER . 5.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 65.22 111.176 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.753 0.311 . . . . 64.45 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 32.4 p -164.66 149.67 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.44 127.12 55.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.33 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -138.96 137.98 9.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.76 . . . . 53.32 112.507 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 26' ' ' LEU . 10.7 t -130.87 136.04 48.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 73.32 111.198 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -134.39 125.91 28.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 3.1 t -129.96 121.8 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.129 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 95.0 p -136.93 145.17 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -147.14 143.73 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 51.21 110.839 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -132.78 129.14 38.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.973 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 5.2 p -125.92 134.73 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' I' ' 114' ' ' LEU . 1.0 OUTLIER -136.24 128.33 29.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 63.41 110.877 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.19 122.63 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 42.1 110.908 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.697 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -119.86 124.53 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.923 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.5 112.79 12.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.947 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.63 129.34 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.802 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 135.71 40.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.05 139.99 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 63.04 110.847 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 123.66 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 65.44 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.97 128.34 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 64.12 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -138.15 127.97 25.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -144.41 145.42 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 64.12 110.909 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 8' ' ' SER . 25.2 m -139.1 160.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.107 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.13 136.43 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.92 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -135.28 115.43 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' J' ' 126' ' ' LEU . 6.6 tt -120.44 132.55 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -132.02 125.54 31.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 70.44 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.02 139.06 49.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.167 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 75.31 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 31.7 p -164.86 149.53 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.844 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.08 126.28 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.44 136.53 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 74.24 112.445 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 6.2 t -130.67 135.5 47.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 64.31 111.095 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -134.05 126.12 29.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 63.25 110.764 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.8 t -128.31 123.13 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 73.22 111.13 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 91.8 p -136.95 139.92 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.853 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -150.08 145.32 26.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.91 127.8 39.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.14 110.951 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 5.3 p -125.2 134.1 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.858 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.719 ' HE3' HD12 ' J' ' 114' ' ' LEU . 0.8 OUTLIER -137.49 128.68 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.897 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.08 120.67 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.1 110.953 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.719 HD12 ' HE3' ' J' ' 112' ' ' LYS . 0.2 OUTLIER -121.91 123.28 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 53.1 110.945 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.42 112.71 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.31 128.53 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 53.15 110.809 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 135.4 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.23 139.78 53.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.836 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.14 124.06 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 73.03 111.039 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.72 127.7 37.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -138.22 130.8 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.01 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -142.78 141.15 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' D' ' 8' ' ' SER . 26.2 m -139.75 155.9 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 64.23 111.066 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . 0.555 ' HB2' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -136.86 139.03 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 71.2 110.976 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -131.32 115.8 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 70.25 110.907 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' I' ' 126' ' ' LEU . 7.5 tt -119.1 132.87 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -130.18 130.17 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.846 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.32 137.07 50.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 42.1 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.126 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . 0.81 ' HA ' HG23 ' C' ' 29' ' ' THR . 71.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 74.54 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 13.7 t -122.44 143.89 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.15 110.813 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.79 130.51 54.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 75.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.495 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -134.89 136.63 8.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 73.3 112.488 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.677 ' HB ' HD23 ' C' ' 26' ' ' LEU . 5.9 t -139.62 141.44 37.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 75.2 111.12 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . 0.498 ' HE1' HG13 ' E' ' 23' ' ' VAL . 4.6 t80 -140.99 125.94 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 73.4 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 16.1 p -121.4 131.84 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 71.51 111.136 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 130.82 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 61.42 110.882 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -135.94 139.41 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 54.13 110.828 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -135.29 141.57 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.964 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.14 134.64 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.807 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.92 129.08 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 73.04 110.885 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.48 120.22 29.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.886 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.01 121.55 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 110.89 10.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.53 110.913 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -131.85 124.98 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.847 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.504 HH21 ' HB2' ' K' ' 119' ' ' ALA . 5.1 ptm180 -134.97 134.54 40.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.917 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.6 143.14 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.839 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . 0.504 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -141.97 123.45 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 71.24 111.136 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -132.91 129.74 38.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.03 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -137.54 122.76 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.814 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.85 142.62 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.903 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -140.34 153.26 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 44.51 111.103 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.08 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 65.13 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -131.22 109.79 10.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' L' ' 126' ' ' LEU . 8.8 tt -113.75 125.81 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 62.43 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -125.17 123.6 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.863 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.11 136.65 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 72.04 110.92 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.122 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . 0.617 ' N ' ' HG1' ' F' ' 29' ' ' THR . 71.4 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.759 0.314 . . . . 71.5 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 13.8 t -122.19 144.18 49.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.892 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.0 125.87 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.878 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.531 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.36 135.86 7.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 72.55 112.486 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.47 HG23 ' HB3' ' D' ' 26' ' ' LEU . 5.0 t -138.25 139.76 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 75.32 111.116 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . 0.538 ' HE1' HG13 ' D' ' 23' ' ' VAL . 2.1 t80 -142.74 126.01 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.862 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 13.7 p -122.15 132.88 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 71.32 111.106 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.47 125.82 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 62.25 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -138.91 142.99 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.905 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -133.42 141.98 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 73.43 110.964 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.05 135.42 41.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 52.33 110.85 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.498 ' HZ1' ' HB2' ' D' ' 19' ' ' ALA . 0.3 OUTLIER -130.39 129.51 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 51.22 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -125.01 120.26 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.481 HD13 ' NH1' ' F' ' 17' ' ' ARG . 0.1 OUTLIER -124.82 120.89 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 72.45 110.889 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.98 110.6 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -130.49 125.56 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.719 ' CD ' HD13 ' D' ' 14' ' ' LEU . 5.4 ptm180 -135.03 135.24 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.807 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.4 143.05 49.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . 0.42 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -141.0 125.25 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 73.43 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -134.18 128.37 33.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -138.23 126.49 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.92 140.16 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.32 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.21 150.09 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.48 136.57 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -127.56 110.11 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' K' ' 126' ' ' LEU . 9.7 tt -114.55 125.17 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 26.1 mmt -125.82 127.85 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.44 110.905 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.07 133.91 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . 0.618 HG23 ' HB3' ' D' ' 2' ' ' SER . 14.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 54.11 111.19 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . 0.632 ' CD2' HG21 ' E' ' 29' ' ' THR . 25.9 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 72.11 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . 0.445 ' HB3' HG23 ' G' ' 29' ' ' THR . 80.1 p -133.8 163.8 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.952 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.15 127.35 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.15 138.99 10.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 75.2 112.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 17.1 m -136.11 130.09 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 71.24 111.169 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -128.49 117.76 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.858 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.95 119.24 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 132.51 43.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.904 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -136.73 142.71 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -138.17 137.47 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.13 138.11 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.41 110.873 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 133.14 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.953 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -132.92 121.79 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.956 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.552 HD13 ' NH1' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -126.52 122.53 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.22 111.61 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 121.57 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 73.43 110.909 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 139.96 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.89 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -127.47 136.86 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.22 110.886 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.32 122.92 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 70.51 111.114 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -132.71 126.88 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -134.98 120.57 19.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.943 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -135.99 142.74 44.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.89 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.62 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.1 m -141.58 149.2 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 72.53 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -124.36 131.26 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -128.64 109.21 11.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.937 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.745 HD13 ' O ' ' M' ' 126' ' ' LEU . 0.3 OUTLIER -116.39 115.13 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.965 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . 0.745 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.9 OUTLIER -116.84 122.24 43.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.83 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -123.76 137.5 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 62.13 110.837 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.1 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 74.24 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -134.17 163.64 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.52 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.99 125.63 49.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.22 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.81 138.28 10.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.798 -0.715 . . . . 54.03 112.467 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 16.7 m -134.3 128.97 34.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 73.02 111.113 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -129.79 116.82 19.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 119.3 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.162 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.02 130.24 43.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.827 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.79 142.91 40.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -139.58 135.57 33.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 50.54 110.926 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.24 138.28 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 134.24 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.921 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -130.66 125.01 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 122.33 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.831 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.88 114.54 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.55 110.863 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.32 121.61 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.85 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.05 140.65 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -128.38 141.09 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.41 110.843 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -140.09 122.32 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 51.12 111.064 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.01 125.93 32.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -138.8 118.95 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 72.41 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -136.25 142.36 43.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.1 110.836 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.3 145.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 75.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -127.54 131.17 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 64.35 110.928 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -126.84 108.53 11.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.02 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.943 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.36 117.36 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.42 110.923 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . 0.627 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.9 OUTLIER -118.14 128.36 54.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.52 110.868 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.12 134.66 55.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 63.42 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.12 111.135 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 65.4 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.73 178.27 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.845 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.7 134.16 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 62.35 110.898 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.49 139.32 10.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 62.3 112.475 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.419 HG23 HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -134.17 124.7 26.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 74.43 111.093 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -125.48 120.3 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 62.41 110.878 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 116.19 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 75.32 111.072 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 124.22 36.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.855 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.55 127.68 41.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 73.21 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -126.81 127.4 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.912 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.37 134.5 45.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 65.31 110.83 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -131.02 128.89 41.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 71.4 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.24 116.58 20.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.99 124.29 44.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 43.51 110.951 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -130.74 109.95 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -127.08 124.56 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.866 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' O' ' 119' ' ' ALA . 2.5 ptm180 -137.7 145.99 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.73 146.23 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.832 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . 0.464 ' HB2' ' NH2' ' O' ' 117' ' ' ARG . . . -138.78 123.28 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.147 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 122.33 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 64.51 110.871 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -131.55 118.96 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.897 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -136.68 142.62 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' G' ' 8' ' ' SER . 6.2 m -142.01 154.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.42 111.134 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.42 134.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 110.44 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' P' ' 126' ' ' LEU . 1.6 tt -117.02 129.64 56.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 72.23 110.92 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.0 mmt -125.0 124.13 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.86 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.82 137.38 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 64.51 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.162 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . 0.621 ' HA ' HG23 ' H' ' 29' ' ' THR . 91.0 p -118.45 178.77 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.855 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.25 133.45 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.944 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.4 139.13 10.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.781 -0.724 . . . . 44.14 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 126.69 37.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 64.22 111.128 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -126.42 118.73 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.45 110.818 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.86 116.14 25.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.04 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.21 125.64 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 44.0 110.843 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.48 127.65 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.54 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.81 127.78 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.897 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.37 134.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 54.11 110.826 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -131.89 128.57 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -130.69 115.0 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.248 -0.433 . . . . 64.54 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.77 125.5 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 74.44 110.953 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.09 109.58 10.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.838 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -123.44 128.38 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.8 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . 0.451 ' NH2' ' HB2' ' P' ' 119' ' ' ALA . 2.7 ptm180 -137.52 146.97 44.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 147.76 45.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 63.21 110.847 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . 0.451 ' HB2' ' NH2' ' P' ' 117' ' ' ARG . . . -139.61 123.35 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.42 111.121 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.12 122.2 36.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.866 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -134.39 118.31 17.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 53.31 110.968 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -137.31 142.28 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 53.21 110.951 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.26 152.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.55 111.108 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -132.79 133.91 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.42 112.5 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.926 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' O' ' 126' ' ' LEU . 1.3 tt -117.6 130.72 56.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.44 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -124.72 125.64 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.889 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.69 138.12 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 70.32 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.123 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.836 0.35 . . . . 65.12 111.106 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -123.14 112.37 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 65.02 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 142.81 46.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.188 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.6 t -134.7 134.75 41.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 54.54 110.876 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -135.34 124.01 23.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.04 110.814 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -133.41 128.17 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t -137.75 131.08 30.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 65.33 110.845 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -140.07 132.9 29.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.944 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -133.35 139.38 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.3 OUTLIER -129.85 132.21 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.972 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -135.3 122.55 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.53 110.823 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -129.86 127.62 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.927 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' CZ ' HD11 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -133.17 149.29 52.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 72.35 110.853 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -147.89 137.19 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 65.11 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.15 142.96 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 35.14 111.145 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.04 127.1 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.915 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -122.44 113.35 19.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -116.08 122.08 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 72.02 110.943 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.4 t -136.19 117.8 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.175 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -129.56 132.84 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -131.37 131.76 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' I' ' 104' ' ' GLY . 17.0 tp -127.9 137.15 52.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 63.02 110.9 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 3.2 ptp -133.05 130.5 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.863 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -148.54 166.09 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.519 ' HG1' ' N ' ' I' ' 101' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.079 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.791 0.329 . . . . 62.35 110.835 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -147.81 153.13 38.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 64.23 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.28 131.18 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 75.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 130.55 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 64.32 112.509 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.992 HG22 HD23 ' J' ' 126' ' ' LEU . 13.2 p -125.22 117.36 23.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 54.21 111.129 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -126.05 114.22 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 140.75 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 60.42 111.096 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -133.61 134.93 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -139.37 123.52 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.83 129.96 41.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.955 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 44.3 t -135.77 132.26 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.52 110.817 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -138.39 135.11 34.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 74.13 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -131.03 137.16 49.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.402 . . . . 71.54 110.936 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.84 131.69 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 73.44 110.92 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -134.64 122.66 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.833 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -128.83 127.67 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 51.11 110.848 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 147.08 52.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 72.33 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -151.13 137.12 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' J' ' 112' ' ' LYS . . . -127.02 141.59 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.131 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 128.05 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 63.23 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.67 115.56 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.803 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.68 121.07 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.51 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 63.3 t -137.12 117.97 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 55.24 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -128.62 133.98 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -130.09 130.7 45.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 27' ' ' MET . 17.1 tp -129.21 136.09 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.935 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . 0.462 ' N ' HD12 ' B' ' 26' ' ' LEU . 3.2 ptp -135.5 130.6 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.876 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -147.7 165.93 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.851 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 61.1 111.143 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.82 0.343 . . . . 72.21 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.05 144.46 49.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.54 110.826 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . 0.707 ' OE1' HG23 ' C' ' 5' ' ' THR . 0.3 OUTLIER -161.4 135.09 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 63.01 110.87 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.59 127.79 4.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 55.02 112.45 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.707 HG23 ' OE1' ' C' ' 3' ' ' GLN . 10.0 p -123.3 126.01 46.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 71.15 111.133 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.41 117.52 19.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 148.25 51.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.094 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.631 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.8 t -143.42 135.41 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.889 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.33 124.14 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.806 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -136.63 125.34 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.942 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -130.08 135.81 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.868 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.95 129.91 38.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -129.04 125.32 37.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.21 110.99 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -123.21 120.85 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 64.04 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -126.11 123.03 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 72.3 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -127.84 121.53 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.875 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.491 ' NH1' HD21 ' L' ' 114' ' ' LEU . 2.7 ptm180 -124.16 135.45 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.53 110.869 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 138.38 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.911 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . 0.58 ' HB2' ' HZ1' ' I' ' 112' ' ' LYS . . . -130.96 142.09 50.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -141.88 134.79 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.97 134.86 40.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -132.28 127.24 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.91 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.54 118.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 61.25 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -129.13 123.81 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -118.47 131.57 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -123.65 134.05 53.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.944 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -131.18 131.7 44.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.87 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.08 131.41 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.857 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.627 HG23 ' O ' ' I' ' 101' ' ' HIS . 91.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 65.11 111.164 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.767 0.318 . . . . 75.44 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.78 145.38 48.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.872 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . 0.417 ' OE1' HG23 ' D' ' 5' ' ' THR . 0.4 OUTLIER -156.86 130.74 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.951 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.07 4.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 45.23 112.47 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . 0.417 HG23 ' OE1' ' D' ' 3' ' ' GLN . 13.7 p -121.57 124.14 43.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 72.45 111.17 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.9 120.82 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.24 110.862 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . 0.553 HG23 ' HB2' ' L' ' 124' ' ' GLN . 0.2 OUTLIER -123.37 147.51 46.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.15 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.573 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.7 t -138.3 134.76 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.795 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.28 122.02 13.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.34 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -135.51 124.41 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 70.4 110.888 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 37.1 t -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.08 131.23 42.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -126.15 121.01 31.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 74.31 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.812 HD12 ' HD3' ' L' ' 117' ' ' ARG . 5.3 mt -122.75 120.28 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.905 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.81 122.88 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -126.16 121.07 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.832 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -125.52 134.73 51.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 72.21 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 139.27 45.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.855 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.592 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -129.87 142.11 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.142 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.3 135.62 32.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 51.44 110.884 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.38 135.9 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -130.54 126.88 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.805 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -139.4 117.9 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.24 111.171 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -131.02 120.1 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' D' ' 27' ' ' MET . 21.4 t-105 -119.88 129.14 54.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 70.32 110.878 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.582 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.5 OUTLIER -125.87 135.23 51.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.965 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . 0.411 ' HB3' ' CZ2' ' D' ' 25' ' ' TRP . 4.4 ptp -133.04 129.24 37.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.882 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.19 131.23 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . 0.665 HG23 ' O ' ' L' ' 101' ' ' HIS . 91.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 65.05 111.172 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 64.51 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -146.59 156.81 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 45.2 110.914 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . 0.703 HE22 HG23 ' E' ' 5' ' ' THR . 0.0 OUTLIER -162.15 167.02 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.14 110.877 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.23 127.87 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.534 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . 0.703 HG23 HE22 ' E' ' 3' ' ' GLN . 29.8 p -125.62 118.82 26.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 63.45 111.159 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -125.46 112.3 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 75.24 110.903 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.49 146.91 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.03 111.14 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.618 ' HA ' HG12 ' M' ' 123' ' ' VAL . 4.7 t -140.87 135.1 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.834 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.03 120.54 18.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 72.35 110.797 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -129.87 121.36 26.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.937 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -131.8 140.11 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 75.3 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.68 140.82 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -132.48 136.64 46.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.05 110.898 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.89 117.96 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.964 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -118.31 122.4 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.23 110.845 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 10.3 m -132.75 123.52 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.823 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' N' ' 114' ' ' LEU . 7.1 ptm180 -129.31 143.28 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.855 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 136.12 40.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . 0.455 ' HB2' HH22 ' E' ' 17' ' ' ARG . . . -124.61 135.49 53.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.44 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.81 124.6 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.921 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.45 118.11 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 54.35 110.87 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.69 124.8 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 t -137.05 119.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.53 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' M' ' 107' ' ' THR . 1.1 tm0? -153.02 136.77 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.956 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.0 p-90 -140.32 142.98 35.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 70.32 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.711 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -122.41 129.58 52.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.956 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.461 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.4 ptt? -123.15 131.95 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.884 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.65 147.48 8.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.84 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.13 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 73.14 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -146.49 157.94 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.42 110.855 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . 0.691 HE22 HG23 ' F' ' 5' ' ' THR . 0.0 OUTLIER -158.27 161.63 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.946 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 128.49 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 63.31 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . 0.691 HG23 HE22 ' F' ' 3' ' ' GLN . 29.9 p -122.4 118.5 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 65.14 111.137 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.94 114.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.87 146.09 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 73.13 111.133 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.621 ' HA ' HG12 ' L' ' 123' ' ' VAL . 4.6 t -138.37 135.51 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.22 110.884 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.55 118.6 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.882 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.14 120.38 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 75.13 110.961 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 46.9 t -130.39 138.72 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 64.23 110.839 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 0.0 OUTLIER -145.08 140.95 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 54.24 110.918 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -132.29 134.08 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 60.22 110.878 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 115.87 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 71.32 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.76 122.44 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 10.4 m -132.27 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 62.21 110.805 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.27 141.73 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 74.42 110.896 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.43 136.34 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.831 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.47 135.55 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 54.43 111.08 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.21 125.83 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.89 119.82 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 50.02 110.823 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.46 124.54 52.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.926 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.73 121.39 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.15 111.153 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . 0.408 ' HB2' HG23 ' L' ' 107' ' ' THR . 1.5 tm0? -152.34 133.88 14.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.908 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -137.83 139.82 40.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.678 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.2 tm? -122.12 128.12 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 50.02 110.913 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -123.04 129.51 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.881 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -165.74 147.56 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.51 111.065 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 73.11 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . 0.527 ' CB ' HG23 ' O' ' 129' ' ' THR . 1.4 p -143.24 149.03 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.895 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . 0.608 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -152.22 140.82 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -133.45 129.45 5.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 64.21 112.4 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -122.09 121.65 37.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.801 0.334 . . . . 41.32 111.215 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -126.24 113.25 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.863 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.77 145.81 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.615 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.9 t -139.45 135.64 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.821 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.77 118.23 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.859 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -131.49 123.8 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.952 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 150.21 51.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -155.24 145.95 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 71.43 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . 0.42 ' HB3' ' HD3' ' O' ' 118' ' ' ARG . 46.5 t80 -144.55 141.12 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.417 ' N ' HD12 ' G' ' 14' ' ' LEU . 3.1 mp -127.07 128.1 45.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 72.3 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -125.39 122.92 38.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 24.0 p -134.5 138.09 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 65.11 110.816 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -141.51 134.44 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 73.03 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 126.64 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.92 141.3 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.22 111.067 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -140.69 123.86 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -128.19 136.44 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.03 110.88 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.92 136.44 48.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.88 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -146.23 117.71 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.16 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.13 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 4.1 p-90 -141.26 143.96 34.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.94 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.641 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.0 tm? -121.02 128.52 52.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 74.22 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -121.11 130.16 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 55.31 110.896 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.47 177.08 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 64.53 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . 0.447 HG21 ' CD2' ' O' ' 101' ' ' HIS . 14.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.01 111.157 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 71.04 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.03 148.5 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 73.54 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 135.19 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.967 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 128.55 4.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 64.03 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.1 p -120.56 120.05 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 74.12 111.115 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -124.95 114.89 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . 0.492 HG23 ' CB ' ' P' ' 124' ' ' GLN . 0.2 OUTLIER -125.19 145.48 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.187 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -136.04 135.11 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 72.04 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.43 115.22 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.864 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.49 124.57 32.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.52 110.906 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -131.59 148.78 52.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 31.35 110.797 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . 0.575 ' CE ' HD11 ' H' ' 14' ' ' LEU . 14.8 ptmt -151.26 147.07 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 72.2 110.888 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -143.63 136.29 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 71.43 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.622 HD13 HH11 ' P' ' 117' ' ' ARG . 4.6 mp -127.74 126.27 41.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 62.14 110.914 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -128.7 122.63 31.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.931 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 24.2 p -131.28 137.2 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 61.14 110.851 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.38 130.09 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.28 124.96 29.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 63.01 110.828 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . 0.505 ' HB2' ' CD ' ' P' ' 112' ' ' LYS . . . -121.32 140.62 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -138.37 123.91 19.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 62.42 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.8 138.6 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.904 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.07 136.71 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.931 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -145.9 117.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 65.03 111.114 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.67 136.16 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . 0.404 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 3.5 p-90 -146.84 138.69 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 71.52 110.909 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.5 tm? -120.16 127.58 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.924 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . 0.404 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 0.0 OUTLIER -124.07 128.54 49.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.13 177.55 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.602 HG21 ' CD2' ' N' ' 101' ' ' HIS . 14.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 65.22 111.115 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . 0.627 ' O ' HG23 ' C' ' 29' ' ' THR . 39.0 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 64.45 110.8 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.6 p -164.22 144.17 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 72.01 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.33 127.4 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.33 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.36 138.74 10.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 53.32 112.476 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.562 ' OG1' HD13 ' A' ' 26' ' ' LEU . 14.5 m -133.61 123.53 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 73.32 111.153 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -122.83 115.91 22.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.888 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.8 m -117.21 119.78 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.02 127.72 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.817 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.98 130.55 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 51.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -127.09 129.09 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.905 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -119.58 134.68 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 74.22 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -129.2 128.04 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 63.41 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -133.18 125.05 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 42.1 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -134.08 134.29 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.924 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.02 118.58 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.866 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -126.49 138.72 53.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 64.33 110.803 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . 0.453 ' HB2' HD12 ' A' ' 14' ' ' LEU . 7.5 ptm180 -139.82 140.09 36.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 74.12 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 128.49 43.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.04 110.825 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . 0.425 ' HB2' HH22 ' I' ' 117' ' ' ARG . . . -130.5 123.55 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.44 111.133 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -135.13 128.25 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 64.12 110.928 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -138.05 127.8 25.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.22 110.816 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.22 146.94 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 64.12 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -142.63 156.13 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.098 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.76 129.39 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 73.05 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -125.47 109.33 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.756 HD22 ' N ' ' I' ' 127' ' ' MET . 0.3 OUTLIER -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.1 110.912 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . 0.756 ' N ' HD22 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -118.31 122.02 41.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 70.44 110.871 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 137.13 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 65.22 110.829 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.197 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 39.1 m170 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.794 0.331 . . . . 75.31 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.8 p -164.22 144.23 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 53.43 110.836 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.01 125.75 51.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . 0.582 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.64 137.97 9.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.783 -0.722 . . . . 74.24 112.49 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 15.2 m -132.05 123.96 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 64.31 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -123.07 116.04 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.889 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 86.6 m -116.23 119.3 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.11 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.41 124.74 34.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.794 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.7 134.74 33.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.846 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -125.06 127.72 47.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.921 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 18.4 m -119.57 136.58 54.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 64.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.55 ' NZ ' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -129.94 128.52 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.904 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -127.99 126.56 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.964 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -137.47 131.26 31.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 53.1 110.876 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.65 118.46 11.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.824 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -128.58 137.67 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 53.15 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.96 138.57 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.825 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.63 129.52 40.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.48 125.75 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.066 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -134.27 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.868 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -138.03 130.05 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.859 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.05 144.2 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' D' ' 8' ' ' SER . 12.8 m -142.98 153.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.23 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -135.2 130.31 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.76 109.24 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 70.25 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.992 HD23 HG22 ' B' ' 5' ' ' THR . 1.0 OUTLIER -116.51 116.31 27.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.897 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . 0.612 ' N ' HD22 ' J' ' 126' ' ' LEU . 0.2 OUTLIER -118.97 126.99 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.911 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.54 134.32 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 42.1 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.054 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 74.54 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.22 167.95 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.15 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.5 128.16 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.95 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.26 138.72 10.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 73.3 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.61 HG23 ' HG ' ' C' ' 26' ' ' LEU . 6.9 m -131.81 121.29 23.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 75.2 111.146 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -117.88 110.97 18.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.88 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -112.81 117.82 33.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.51 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.54 130.52 47.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 61.42 110.848 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.6 141.86 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 54.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -135.1 142.33 46.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.923 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -141.02 138.31 33.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 63.01 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 137.68 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.04 110.88 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -136.06 117.71 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.21 110.967 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' L' ' 114' ' ' LEU . 0.4 OUTLIER -123.28 115.91 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 74.42 110.953 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.17 111.27 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 63.53 110.816 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 121.72 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.15 110.868 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.4 135.81 40.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.871 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -132.75 144.31 50.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.85 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.4 123.97 18.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -122.94 121.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.842 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -129.09 118.6 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -140.26 142.45 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -141.99 157.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 44.51 111.08 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -132.81 140.38 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 65.13 110.914 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.95 114.18 8.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' L' ' 126' ' ' LEU . 7.5 tt -120.9 128.76 53.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.233 -0.44 . . . . 62.43 110.962 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.8 124.96 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.885 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -127.85 139.31 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.04 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.162 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . 0.665 ' O ' HG23 ' D' ' 29' ' ' THR . 18.6 m170 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 71.5 110.828 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.61 168.57 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 64.04 110.849 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.72 126.24 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 63.44 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.513 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -134.43 135.68 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 72.55 112.485 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.678 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.9 m -130.28 120.24 24.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 75.32 111.137 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -118.51 110.74 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . 0.408 HG23 ' HB2' ' F' ' 24' ' ' GLN . 7.0 m -111.2 117.46 33.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.94 126.54 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 62.25 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.12 143.43 38.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -134.56 141.32 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.9 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 6.3 t -140.06 138.91 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 52.33 110.826 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.592 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.63 138.06 37.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 51.22 110.897 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -134.36 118.38 17.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.953 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' K' ' 114' ' ' LEU . 0.4 OUTLIER -121.24 115.87 23.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.945 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.33 109.73 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.87 123.89 45.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.916 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.812 ' HD3' HD12 ' D' ' 14' ' ' LEU . 2.1 ptm180 -133.75 136.32 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -133.48 146.68 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 63.23 110.891 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.39 123.91 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -123.95 123.27 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -130.65 122.33 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.51 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -138.84 140.55 38.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 71.32 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' F' ' 8' ' ' SER . 16.6 m -142.09 154.92 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.122 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . 0.553 ' HB2' HG23 ' D' ' 7' ' ' THR . 22.5 tp60 -136.2 140.92 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.954 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -138.01 117.4 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' K' ' 126' ' ' LEU . 6.8 tt -120.01 129.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 71.45 110.911 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.74 128.42 47.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.793 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -124.69 137.33 54.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.822 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 54.11 111.14 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.331 . . . . 72.11 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.8 160.0 36.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.896 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.48 128.71 56.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.922 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.581 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -134.72 138.74 10.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 75.2 112.568 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.711 ' HB ' HD23 ' E' ' 26' ' ' LEU . 10.3 t -127.54 128.92 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 71.24 111.165 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . 0.449 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 20.4 t80 -121.62 119.33 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.919 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . 0.729 HG22 ' HG3' ' E' ' 24' ' ' GLN . 7.5 p -127.1 119.25 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 71.44 111.13 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 31.2 t -137.69 134.86 35.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.844 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.25 128.93 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -121.85 138.36 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.866 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 76.7 p -141.5 137.87 32.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 65.41 110.83 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -135.3 141.34 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.4 110.879 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -134.65 124.08 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -124.82 125.14 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.887 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.23 110.56 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.905 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -127.27 126.46 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.817 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.01 138.11 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 74.4 110.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.76 135.39 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.22 110.892 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.52 123.1 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 70.51 111.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.6 126.27 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -134.61 121.52 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -136.73 141.67 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.92 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.4 m -141.83 156.79 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.53 111.184 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -133.85 134.5 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 109.95 8.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' N' ' 126' ' ' LEU . 9.6 tt -116.24 134.18 55.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.907 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . 0.427 ' N ' HD23 ' M' ' 126' ' ' LEU . 0.3 OUTLIER -130.51 125.69 34.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.832 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.52 140.38 53.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 62.13 110.933 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.077 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . 0.602 ' CD2' HG21 ' H' ' 29' ' ' THR . 25.4 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.831 0.348 . . . . 74.24 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.57 160.59 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.52 110.886 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . 0.524 ' HG2' HD21 ' H' ' 26' ' ' LEU . 0.7 OUTLIER -112.67 127.04 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.934 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.535 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -134.35 136.53 8.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.719 . . . . 54.03 112.455 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . 0.658 ' HB ' HD23 ' H' ' 26' ' ' LEU . 12.1 t -131.26 129.13 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 73.02 111.159 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -122.73 121.91 37.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 11.1 p -120.15 121.62 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.34 111.181 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t -138.3 129.59 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.53 130.26 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -121.3 136.06 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.54 110.906 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 76.6 p -142.15 138.1 31.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.763 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -135.92 141.79 44.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.851 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -133.13 124.11 26.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -123.4 125.17 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.958 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.56 110.02 9.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.912 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 p -125.93 129.58 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.811 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.41 136.1 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 64.21 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.51 137.23 54.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 70.41 110.847 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -132.71 123.63 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.12 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -130.72 126.98 37.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -137.47 122.02 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.797 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -136.1 143.34 44.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.1 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.73 152.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.138 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -136.95 135.32 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.873 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.12 112.07 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.02 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' M' ' 126' ' ' LEU . 9.9 tt -114.21 133.69 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 62.42 110.977 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -133.46 129.51 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.849 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.5 138.86 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 63.42 110.892 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.211 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . 0.447 ' CD2' HG21 ' G' ' 29' ' ' THR . 43.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.778 0.323 . . . . 65.4 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 12.4 p -156.35 153.57 29.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.841 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.13 129.92 48.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 62.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.641 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.02 138.63 8.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 62.3 112.469 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.621 HG23 HD23 ' G' ' 26' ' ' LEU . 0.9 OUTLIER -125.6 129.43 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 74.43 111.128 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 26.2 t80 -121.42 127.69 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 62.41 110.881 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -139.37 122.91 17.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.146 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -143.89 146.75 33.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.951 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.81 157.43 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.877 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -146.13 127.95 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 70.44 110.965 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.41 137.58 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 65.31 110.846 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' O' ' 114' ' ' LEU . 18.2 tptp -128.32 128.71 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.55 115.78 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.951 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.449 HD12 ' HE3' ' O' ' 112' ' ' LYS . 0.1 OUTLIER -120.39 131.78 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 43.51 110.967 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -143.39 114.3 7.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.911 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 58.1 p -136.87 127.02 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.837 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -135.3 146.27 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' G' ' 13' ' ' TYR . 0.1 OUTLIER -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.35 124.85 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.64 125.82 44.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 64.51 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.71 120.41 23.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -140.79 144.39 35.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.851 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' G' ' 8' ' ' SER . 12.3 m -142.58 156.12 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.42 111.186 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -131.66 136.06 47.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -137.97 113.81 9.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' P' ' 126' ' ' LEU . 10.5 tt -117.98 131.88 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.903 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.428 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.1 mmt -126.76 124.2 39.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.941 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.49 131.36 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 64.51 110.883 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . 0.527 HG23 ' CB ' ' G' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 44.2 m170 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.8 0.333 . . . . 73.35 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 12.5 p -156.9 154.76 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.877 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.48 129.72 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.75 138.0 7.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 44.14 112.512 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -128.13 129.1 46.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 64.22 111.192 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -120.75 129.82 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.868 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -138.71 123.32 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.219 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -144.76 147.09 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 44.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.05 158.76 43.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 71.54 110.87 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -146.17 127.55 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.937 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.44 134.81 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.11 110.766 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . 0.505 ' CD ' ' HB2' ' H' ' 19' ' ' ALA . 18.1 tptp -129.33 128.13 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.38 115.27 20.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 64.54 110.926 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.469 HD12 ' HZ1' ' P' ' 112' ' ' LYS . 0.1 OUTLIER -116.93 134.26 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.909 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -144.14 113.84 7.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.819 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -134.02 131.06 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.01 110.849 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . 0.622 HH11 HD13 ' H' ' 14' ' ' LEU . 7.8 ptm180 -134.6 148.83 50.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 71.21 110.849 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 150.89 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.838 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -145.08 123.94 12.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 62.42 111.173 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.64 124.27 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.957 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -135.63 118.87 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 53.31 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 53.21 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.97 153.51 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 54.55 111.152 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . 0.492 ' CB ' HG23 ' H' ' 7' ' ' THR . 13.2 pt20 -134.15 134.04 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.83 114.68 11.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.871 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' O' ' 126' ' ' LEU . 10.6 tt -118.62 132.24 56.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 63.44 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -128.27 125.49 38.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.841 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -122.42 133.89 54.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 70.32 110.901 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.54 111.174 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 65.12 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.07 111.39 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.02 110.876 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.1 142.74 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.161 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.665 ' HA ' HG12 ' I' ' 123' ' ' VAL . 13.3 t -140.38 134.64 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 54.54 110.873 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.65 125.37 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.04 110.928 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.29 122.55 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.91 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.51 130.87 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 65.33 110.86 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 124.46 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 75.4 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 132.93 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.829 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.4 OUTLIER -123.13 118.73 28.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 74.25 110.91 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.43 122.62 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.864 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.75 148.39 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.1 ptm180 -146.41 148.96 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 72.35 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -141.28 124.26 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.955 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.68 139.55 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 35.14 111.148 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.03 123.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.917 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -119.59 127.39 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.822 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.6 t -144.89 117.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.23 111.206 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.09 138.92 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.913 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -140.89 137.06 32.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.51 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD13 ' HB ' ' I' ' 105' ' ' THR . 2.3 tp -133.81 130.21 37.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 63.02 110.907 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.558 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -121.64 138.42 54.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.842 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.41 176.81 10.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.15 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 62.35 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -144.95 153.6 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.868 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.7 152.21 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 130.87 2.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 64.32 112.505 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.404 HG21 HD13 ' I' ' 126' ' ' LEU . 3.3 p -126.08 136.73 53.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.883 0.373 . . . . 54.21 111.126 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.91 115.7 9.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.836 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.593 HG23 ' CB ' ' J' ' 124' ' ' GLN . 0.2 OUTLIER -119.64 144.2 47.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 60.42 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -137.6 135.45 36.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.83 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -134.99 126.69 29.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.39 125.29 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.935 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.07 132.24 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 74.52 110.889 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 129.68 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.925 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.31 131.54 53.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.19 116.57 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.892 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.29 122.99 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.857 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.5 146.83 46.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 51.11 110.934 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.54 146.05 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -145.04 124.5 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 139.18 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 72.15 111.114 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.87 124.11 19.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.23 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.43 128.85 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.12 128.41 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -144.14 122.79 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 55.24 111.134 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.442 ' HB3' HG23 ' J' ' 107' ' ' THR . 1.7 tm0? -138.01 139.75 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.921 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 27' ' ' MET . 4.1 tp -134.35 131.27 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . 0.536 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -122.62 137.55 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.871 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.68 176.37 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.852 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 61.1 111.178 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 72.21 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.2 p -151.36 158.83 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 51.54 110.873 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . 0.419 ' NE2' HD21 ' K' ' 126' ' ' LEU . 1.5 pp0? -165.74 145.44 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 63.01 110.843 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.13 129.42 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 55.02 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -124.05 118.32 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 71.15 111.068 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.27 116.08 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.896 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -123.07 143.48 49.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.32 111.143 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.563 ' HA ' HG12 ' K' ' 123' ' ' VAL . 2.0 t -138.39 135.05 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.814 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.73 122.27 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -133.77 129.28 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.939 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -131.5 142.05 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.903 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' K' ' 119' ' ' ALA . 3.0 ttpm? -138.82 138.42 37.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -140.42 130.72 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 42.21 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.98 131.07 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.04 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -137.35 122.82 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.822 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.29 124.23 33.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.858 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.77 135.47 54.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.53 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -131.67 129.19 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.856 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 132.32 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.32 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.99 123.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 74.21 110.945 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -126.63 124.15 39.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.98 123.61 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.928 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.28 131.64 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.25 111.181 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' K' ' 107' ' ' THR . 4.4 tp-100 -135.92 121.33 19.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -117.8 128.99 55.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -135.45 131.61 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.55 110.873 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.4 130.69 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.898 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.16 176.98 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.5 HG22 ' HA ' ' I' ' 102' ' ' SER . 43.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 65.11 111.12 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 75.44 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -151.26 159.07 44.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.816 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -162.87 142.88 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 131.61 5.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 45.23 112.568 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -121.18 118.42 29.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 72.45 111.143 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.71 115.94 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 64.24 110.834 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -119.22 141.71 48.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.32 111.143 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -135.87 134.66 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.822 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.47 120.93 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -133.84 130.44 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 70.4 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -129.22 142.37 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 64.4 110.832 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -137.56 139.39 40.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.959 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -139.65 131.34 27.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.932 0.396 . . . . 74.31 110.91 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' L' ' 117' ' ' ARG . 3.5 mp -133.18 129.42 37.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.845 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.19 122.86 18.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.2 123.28 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.843 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -122.1 132.86 54.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -134.78 128.85 33.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.82 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.642 ' HB2' ' HE2' ' L' ' 112' ' ' LYS . . . -124.26 133.46 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.072 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 124.36 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 51.44 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -124.25 127.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.58 123.71 41.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.44 110.874 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . 0.509 HG13 ' OG ' ' L' ' 108' ' ' SER . 21.4 t -132.18 129.73 60.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.24 111.152 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -138.6 120.21 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.4 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -117.71 129.83 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.09 134.69 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.989 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 130.18 22.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.77 177.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 65.05 111.095 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 64.51 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.78 152.74 42.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 45.2 110.88 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.62 163.36 35.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 71.14 110.923 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 131.52 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 60.05 112.572 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -120.21 135.45 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 63.45 111.19 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.7 111.71 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.882 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.48 141.15 51.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.03 111.117 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.67 ' HA ' HG12 ' M' ' 123' ' ' VAL . 10.4 t -141.42 134.64 29.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.841 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.59 119.57 14.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 72.35 110.851 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -131.98 120.82 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.977 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -124.66 141.92 51.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.3 110.891 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.85 138.92 30.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -142.84 124.34 14.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -122.92 121.21 35.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.22 110.929 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -123.97 124.66 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 64.23 110.879 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -132.69 122.54 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 137.5 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.13 110.83 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -131.28 140.65 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' M' ' 112' ' ' LYS . . . -131.26 137.46 48.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 111.074 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.09 126.52 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.52 130.59 45.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 54.35 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.9 125.77 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 23.7 t -132.05 120.43 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 71.53 111.15 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . 0.432 ' NE2' HG23 ' M' ' 107' ' ' THR . 4.9 tp-100 -128.73 122.52 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.856 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 131.51 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.949 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 126.01 31.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.912 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.96 135.26 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.906 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.83 176.74 9.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.155 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 73.14 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -142.56 153.0 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . 0.649 HE22 HD21 ' L' ' 126' ' ' LEU . 1.6 pp0? -156.0 157.6 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.864 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 132.82 3.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.464 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -122.56 133.64 54.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 65.14 111.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -137.81 115.28 11.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 143.91 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 73.13 111.127 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.409 ' HA ' HG12 ' L' ' 123' ' ' VAL . 10.4 t -135.38 134.87 40.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 62.22 110.914 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.98 119.16 12.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.31 110.882 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.24 118.95 21.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -125.92 140.44 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.888 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -140.86 141.78 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.24 110.868 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -140.11 122.72 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 60.22 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' N' ' 117' ' ' ARG . 1.0 OUTLIER -121.93 120.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 71.32 110.861 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -125.11 125.15 43.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.797 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 124.15 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 62.21 110.836 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . 0.426 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.2 OUTLIER -124.69 132.36 53.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.864 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -132.93 138.76 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.87 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.34 138.4 47.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.43 111.079 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -136.39 128.35 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.92 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -127.6 133.92 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 50.02 110.86 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -123.47 126.41 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.902 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . 0.458 HG13 ' HE1' ' N' ' 106' ' ' PHE . 29.9 t -133.14 118.29 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.15 111.142 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -132.14 118.46 19.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 130.47 56.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.868 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.523 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -129.69 126.52 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 50.02 110.909 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.08 129.35 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.877 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -164.7 177.45 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 73.15 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . 0.54 HG22 ' HA ' ' N' ' 102' ' ' SER . 19.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.51 111.225 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.795 0.331 . . . . 73.11 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.72 157.55 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.822 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.85 137.29 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 73.14 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.56 128.55 6.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 64.21 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 14.8 p -123.18 117.25 24.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 41.32 111.114 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -128.35 119.36 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.942 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.34 124.28 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.539 ' HA ' HG12 ' O' ' 123' ' ' VAL . 1.5 t -118.41 134.94 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.833 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 121.13 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.85 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.6 127.86 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.948 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -135.7 142.4 45.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.33 144.32 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -134.39 138.82 45.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.555 HD23 ' CD ' ' O' ' 117' ' ' ARG . 0.1 OUTLIER -129.92 118.0 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 72.3 110.938 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -121.9 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.847 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.94 119.72 26.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 65.11 110.835 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 134.51 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.859 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -134.76 136.65 42.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.826 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.31 135.34 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 111.086 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -138.19 123.88 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -130.17 129.59 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 71.03 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.99 136.66 53.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 t -140.84 134.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.113 -0.494 . . . . 72.15 111.061 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . 0.594 ' NE2' HG22 ' O' ' 107' ' ' THR . 2.7 tp-100 -144.45 117.75 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 52.22 110.843 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -117.2 129.8 56.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.971 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.807 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.4 tm? -135.13 129.2 33.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.88 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.589 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -137.26 131.25 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 55.31 110.91 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -164.75 149.8 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 74.01 111.177 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.837 0.351 . . . . 71.04 110.806 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.3 155.41 42.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.54 110.841 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.94 134.06 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.862 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 130.19 6.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.656 -0.783 . . . . 64.03 112.445 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . 0.487 HG22 HD12 ' P' ' 126' ' ' LEU . 11.7 p -121.82 118.97 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 74.12 111.132 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -127.58 121.62 31.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 63.22 110.906 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . 0.604 HG21 HE22 ' O' ' 124' ' ' GLN . 0.2 OUTLIER -126.1 127.65 46.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.117 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -117.94 134.74 54.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.882 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.46 118.56 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.05 110.965 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -129.72 128.15 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.898 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -136.02 140.78 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 31.35 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.38 142.93 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.878 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -136.4 136.29 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.68 119.89 25.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 62.14 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -123.37 122.74 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.907 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 119.63 27.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 61.14 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -125.13 132.89 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.15 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -133.97 137.42 44.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 63.01 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.85 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 71.23 111.143 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -135.86 126.53 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 62.42 110.857 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -128.67 130.58 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.825 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.89 138.31 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.875 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -144.23 132.91 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.03 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -144.1 116.99 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -119.32 129.28 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.537 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.9 tm? -133.3 133.34 42.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . 0.518 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -137.74 130.43 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.93 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -164.62 151.06 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.13 110.911 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 65.22 111.125 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 64.45 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . 0.5 ' HA ' HG22 ' C' ' 29' ' ' THR . 6.9 t -76.96 157.08 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.813 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.54 127.15 10.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -134.63 137.02 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 53.32 112.465 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.619 ' HB ' HD13 ' A' ' 26' ' ' LEU . 4.7 t -127.68 128.06 44.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 73.32 111.21 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -127.09 124.22 38.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 125.27 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.171 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -132.04 136.49 47.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.864 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.63 140.81 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 51.21 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -134.14 127.83 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -120.6 134.67 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.805 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . 0.619 ' HE2' HD12 ' I' ' 114' ' ' LEU . 0.0 OUTLIER -133.6 128.53 35.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 63.41 110.82 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -129.56 127.59 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 42.1 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -127.33 133.02 50.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.908 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.07 109.51 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.841 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.21 130.31 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.873 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.34 141.43 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.853 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 131.9 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 63.04 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.71 123.38 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.44 111.148 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.83 125.36 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -134.95 126.76 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 63.22 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.27 143.99 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.911 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.9 m -140.01 156.8 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.5 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.96 134.02 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 73.05 110.963 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -131.43 126.67 35.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 71.34 110.855 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' J' ' 126' ' ' LEU . 7.4 tt -124.15 132.28 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' I' ' 126' ' ' LEU . 2.0 mmt -128.29 125.09 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 70.44 110.927 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . 0.434 HD22 ' N ' ' I' ' 129' ' ' THR . 0.1 OUTLIER -131.1 137.91 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 65.22 110.884 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . 0.434 ' N ' HD22 ' I' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 64.44 111.194 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 75.31 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.0 t -76.94 157.42 31.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 53.43 110.89 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.22 126.71 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.908 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.49 137.2 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 74.24 112.548 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -128.42 128.75 45.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 64.31 111.115 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -127.52 123.12 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 63.25 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . 0.442 HG23 ' HB3' ' B' ' 24' ' ' GLN . 1.3 t -122.8 124.07 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.109 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -135.19 132.42 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.447 . . . . 70.42 110.84 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.16 141.73 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.907 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -134.09 127.2 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.945 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 37.1 t -120.62 135.77 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 64.41 110.827 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.674 ' HE2' HD12 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -135.73 128.32 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.876 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 129.77 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -128.53 134.0 48.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 53.1 110.949 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.2 110.54 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.848 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.56 124.91 35.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 53.15 110.884 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.25 142.52 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.79 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 134.1 45.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.822 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.65 123.85 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.03 111.083 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.0 125.87 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.848 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.78 128.93 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -141.79 143.54 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.45 154.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 64.23 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . 0.593 ' CB ' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -137.23 135.85 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.2 110.908 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -126.24 126.49 44.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 70.25 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' I' ' 126' ' ' LEU . 7.2 tt -124.72 129.76 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.837 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . 0.472 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.9 mmt -129.77 128.16 41.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.813 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . 0.415 HD22 ' N ' ' J' ' 129' ' ' THR . 0.1 OUTLIER -129.48 136.39 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 42.1 110.825 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . 0.415 ' N ' HD22 ' J' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -160.62 162.83 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.15 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 128.01 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.835 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.499 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -138.82 137.67 8.85 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.686 -0.769 . . . . 73.3 112.449 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.515 HG23 ' HG ' ' C' ' 26' ' ' LEU . 24.2 m -133.93 144.66 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 75.2 111.135 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -140.85 112.08 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . 0.451 HG23 ' NE2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -111.56 118.39 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.51 111.151 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.07 125.21 34.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.893 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -134.44 132.35 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 54.13 110.937 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -129.03 133.72 47.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.968 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -131.76 133.97 45.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 63.01 110.893 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . 0.542 ' HZ1' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -131.23 130.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.881 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.53 115.03 16.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 72.21 110.93 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.542 HD12 ' HZ1' ' K' ' 112' ' ' LYS . 0.0 OUTLIER -119.59 124.27 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.919 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -128.31 109.72 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 63.53 110.87 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -123.74 122.55 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.15 110.888 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.0 137.63 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 152.35 49.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.87 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' C' ' 12' ' ' LYS . . . -147.32 134.67 20.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 71.24 111.13 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.52 121.94 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.03 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -127.1 117.36 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -137.65 141.39 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.869 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' C' ' 8' ' ' SER . 3.9 m -144.28 156.37 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 44.51 111.107 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -136.0 139.88 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -135.35 116.74 14.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.624 ' O ' HD23 ' K' ' 126' ' ' LEU . 0.3 OUTLIER -118.55 127.45 53.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 62.43 110.951 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.11 125.08 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 73.44 110.904 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.53 130.62 52.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.129 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 71.5 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -159.77 162.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.04 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.02 126.25 13.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.921 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.523 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -138.33 136.74 8.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.845 -0.693 . . . . 72.55 112.526 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 24.0 m -134.55 137.5 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 75.32 111.115 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -135.29 112.37 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.87 115.84 29.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 71.32 111.123 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . 0.509 ' OG ' HG13 ' D' ' 23' ' ' VAL . 0.6 OUTLIER -132.21 124.31 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 62.25 110.867 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.73 135.46 38.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.15 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -126.11 132.96 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.913 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -130.97 134.41 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 52.33 110.816 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.46 130.73 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 51.22 110.853 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -129.49 115.22 17.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.894 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.482 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -120.67 124.16 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.904 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -126.11 109.42 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.897 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 6.8 p -123.81 123.37 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.841 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.692 ' HD2' HD13 ' D' ' 14' ' ' LEU . 0.1 OUTLIER -138.18 143.02 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 72.34 110.85 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 152.05 46.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 63.23 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.26 136.35 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -130.93 122.35 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -126.95 119.36 26.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.808 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -138.35 140.13 39.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.835 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' F' ' 8' ' ' SER . 6.9 m -144.02 155.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 73.14 111.169 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.5 140.83 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -133.72 120.01 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.649 HD21 HE22 ' F' ' 3' ' ' GLN . 0.2 OUTLIER -119.41 127.43 53.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 71.45 110.935 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 128.79 50.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.908 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.34 129.21 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.33 110.869 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 54.11 111.171 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 72.11 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 27.3 p -163.18 142.11 8.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.82 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.09 128.88 55.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.41 110.878 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.72 138.46 9.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 75.2 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -135.05 133.27 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 71.24 111.166 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.47 124.33 35.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.799 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . 0.432 HG23 ' NE2' ' E' ' 24' ' ' GLN . 0.2 OUTLIER -119.11 118.93 32.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 71.44 111.186 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -128.6 130.32 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -132.05 140.07 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.34 110.865 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.41 127.82 38.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.966 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.85 134.17 48.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.41 110.878 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -133.2 129.98 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.908 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -128.16 114.98 17.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.921 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' H' ' 17' ' ' ARG . 0.1 OUTLIER -120.32 121.18 38.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.886 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -130.16 110.1 11.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.856 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -127.2 122.18 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . 0.546 ' CD ' HD13 ' G' ' 14' ' ' LEU . 3.2 ptm180 -135.54 138.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.944 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 146.95 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.22 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.46 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.51 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.33 124.14 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.25 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -128.18 121.1 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.804 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -140.84 142.99 34.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.926 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' E' ' 8' ' ' SER . 12.3 m -140.78 156.46 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.53 111.142 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.47 136.51 45.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -129.47 133.56 47.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 73.3 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.604 HD23 ' N ' ' M' ' 127' ' ' MET . 6.6 tt -131.97 133.89 45.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . 0.604 ' N ' HD23 ' M' ' 126' ' ' LEU . 9.4 mmt -132.07 125.0 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 70.12 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.84 140.34 51.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 62.13 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.144 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 74.24 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . 0.54 ' HA ' HG22 ' F' ' 29' ' ' THR . 26.7 p -162.87 141.38 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.873 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 125.22 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.95 136.45 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 54.03 112.454 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . 0.404 HG22 ' HB3' ' F' ' 26' ' ' LEU . 5.3 t -132.86 136.66 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 73.02 111.184 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . 0.458 ' HE1' HG13 ' F' ' 23' ' ' VAL . 4.6 t80 -127.93 122.95 33.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.856 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 117.78 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.076 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -127.91 128.28 44.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -130.81 140.65 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.9 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.16 126.95 36.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 50.54 110.927 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 134.3 46.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.851 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 129.94 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 63.33 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -127.97 114.86 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 74.23 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.39 121.46 39.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.946 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -130.71 108.69 10.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 72.55 110.912 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -126.21 124.89 41.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 74.33 110.891 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' F' ' 14' ' ' LEU . 2.6 ptm180 -134.82 135.64 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 64.21 110.865 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 148.47 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.41 110.84 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.23 135.06 23.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 51.12 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.6 123.18 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.49 123.35 33.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.919 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -137.5 141.03 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 70.1 110.871 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.67 154.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.06 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.66 134.48 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.912 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.69 133.28 49.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 62.02 110.973 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.578 HD23 ' N ' ' N' ' 127' ' ' MET . 6.3 tt -132.24 132.1 42.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 62.42 110.885 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . 0.578 ' N ' HD23 ' N' ' 126' ' ' LEU . 9.5 mmt -130.52 127.67 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.848 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.17 138.87 52.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.955 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.12 111.125 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 65.4 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -80.37 138.89 36.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.92 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.38 136.54 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.441 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.47 140.49 9.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.711 . . . . 62.3 112.5 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.807 ' HB ' HD23 ' G' ' 26' ' ' LEU . 9.8 t -136.42 128.44 29.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 74.43 111.16 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.12 119.51 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 62.41 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . 0.594 HG22 ' NE2' ' G' ' 24' ' ' GLN . 2.1 p -113.34 138.41 50.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.127 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -146.65 136.05 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -141.1 140.91 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.918 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.79 127.33 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 70.44 110.919 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -130.86 137.1 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 65.31 110.801 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.35 132.9 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.913 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -130.72 121.79 26.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.887 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -128.21 115.62 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 43.51 110.897 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.2 113.12 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.896 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.41 121.55 39.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.873 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.555 ' CD ' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.98 124.44 39.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.878 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -124.31 133.42 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.12 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.3 125.64 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.106 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.6 126.59 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.51 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.75 136.0 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -145.58 141.74 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.885 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.5 m -145.5 144.31 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . 0.604 HE22 HG21 ' H' ' 7' ' ' THR . 11.7 pt20 -125.43 136.5 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.956 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -137.23 120.97 17.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 71.45 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' P' ' 126' ' ' LEU . 3.3 tt -127.33 132.42 50.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.958 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.64 124.09 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.894 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.33 135.59 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 64.51 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.146 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.823 0.344 . . . . 73.35 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.11 138.94 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -123.23 136.19 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.66 139.44 8.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 44.14 112.471 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -132.61 132.22 42.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 64.22 111.125 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -127.04 116.1 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 p -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.04 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -145.69 136.89 24.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 44.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -138.89 142.5 38.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.847 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -137.85 127.46 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -132.19 136.08 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.11 110.818 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.37 133.12 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.41 110.878 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -131.63 121.53 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 64.54 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' O' ' 114' ' ' LEU . 0.0 OUTLIER -124.66 118.38 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 74.44 110.944 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.51 111.64 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 65.34 110.889 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.8 122.23 40.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.858 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 123.14 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.89 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -117.92 137.22 52.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.834 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.62 123.9 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 62.42 111.066 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.32 127.81 26.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.43 134.4 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 53.31 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -143.62 142.59 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 53.21 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 11.6 m -145.86 143.43 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 54.55 111.04 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.8 136.42 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.841 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -137.13 121.71 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.53 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' O' ' 126' ' ' LEU . 2.7 tt -127.41 133.45 49.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 63.44 110.959 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.3 125.58 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.824 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.32 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.54 111.161 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.843 0.354 . . . . 65.12 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -124.84 121.74 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.02 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -134.64 149.58 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.151 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.593 ' HA ' HG12 ' I' ' 123' ' ' VAL . 21.7 m -140.86 135.35 31.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 54.54 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.64 122.16 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 74.04 110.828 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.79 126.72 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.41 110.901 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.31 132.56 51.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 65.33 110.843 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 122.79 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 75.4 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.69 135.92 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.913 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 115.65 22.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.943 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.36 123.21 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.96 140.53 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.891 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 HH21 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -139.63 126.18 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.928 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -125.25 120.74 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.52 142.67 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 35.14 111.098 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.83 125.03 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.19 138.64 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.53 139.39 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.863 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.73 123.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 74.23 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.24 136.7 45.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 74.12 110.858 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -141.84 132.72 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.792 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.2 pp -133.32 147.3 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 63.02 110.919 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 146.11 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.922 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.52 175.75 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.71 HG23 ' N ' ' I' ' 101' ' ' HIS . 1.7 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.208 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.864 0.364 . . . . 62.35 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.86 157.15 40.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.812 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.43 133.7 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 75.14 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.04 140.58 11.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 64.32 112.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -129.93 117.84 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 54.21 111.093 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -125.74 125.03 42.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -129.43 150.44 50.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 60.42 111.108 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -138.15 135.2 35.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.1 110.872 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.92 122.05 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.83 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.17 124.95 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 134.12 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 74.52 110.865 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 128.16 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.931 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.96 134.34 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 112.76 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.957 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.62 122.24 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.844 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.79 139.16 41.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 51.11 110.873 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.38 122.08 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.876 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -128.01 123.46 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.19 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.15 111.05 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.66 124.08 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.37 140.76 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 141.18 46.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.821 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' J' ' 108' ' ' SER . 57.6 t -143.8 127.11 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 55.24 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.99 140.18 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.954 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -138.4 135.2 35.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -133.09 147.2 52.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 75.51 110.939 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 146.55 39.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.87 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.24 177.04 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.24 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 61.1 111.154 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 72.21 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.46 151.2 44.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 51.54 110.849 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.61 131.03 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 63.01 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.64 144.95 17.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 55.02 112.522 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -129.25 143.53 50.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 71.15 111.173 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.44 119.62 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 75.11 110.835 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.77 138.71 53.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.096 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.1 OUTLIER -133.55 134.03 42.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 64.24 110.858 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -134.99 132.59 38.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 72.12 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.3 123.31 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.969 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 134.63 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.41 110.868 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.71 123.16 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.979 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 125.88 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 42.21 110.898 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.51 117.55 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 64.04 110.938 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -121.57 122.29 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 142.83 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.828 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.74 130.82 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 74.53 110.812 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -127.25 128.43 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.95 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.64 139.07 53.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 70.32 111.128 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -140.44 123.84 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.863 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.7 136.38 53.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.837 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -127.71 129.36 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -140.17 123.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 61.25 111.112 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.67 ' HB2' HG23 ' K' ' 107' ' ' THR . 1.7 tm0? -153.84 136.86 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.482 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 2.2 p-90 -137.16 140.65 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.915 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.847 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -123.0 131.98 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.936 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . 0.585 ' N ' HD22 ' C' ' 26' ' ' LEU . 1.6 ptt? -126.75 132.46 51.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.899 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.33 177.01 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 65.11 111.128 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.44 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.44 150.54 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.857 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.0 129.03 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . 0.423 ' HA3' ' HE2' ' J' ' 127' ' ' MET . . . -141.46 140.15 10.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 45.23 112.458 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -133.34 140.35 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 72.45 111.159 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -142.73 122.37 13.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.24 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.5 139.03 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 61.32 111.078 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.653 ' HA ' HG12 ' J' ' 123' ' ' VAL . 0.0 OUTLIER -130.33 134.82 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.836 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -137.92 133.56 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 75.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -138.19 123.42 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.937 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 135.01 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.4 110.892 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 125.11 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.93 125.44 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.964 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.411 HD12 HH11 ' J' ' 117' ' ' ARG . 0.3 OUTLIER -112.76 116.96 30.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.964 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -121.39 122.19 39.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.837 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.47 141.44 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.897 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.557 ' CD ' HD11 ' I' ' 114' ' ' LEU . 6.1 ptm180 -141.14 129.03 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.801 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -129.48 129.29 44.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.834 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -125.71 138.41 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.43 111.133 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.19 123.79 15.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 51.44 110.924 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.4 138.59 54.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -127.19 129.29 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 64.44 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . 0.757 HG13 ' OG ' ' L' ' 108' ' ' SER . 17.7 t -140.84 126.25 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 64.24 111.153 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -155.14 132.63 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.4 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 2.1 p-90 -138.11 138.94 39.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.616 HD23 ' OG1' ' J' ' 105' ' ' THR . 3.3 tm? -122.9 131.31 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.847 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -127.14 128.65 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.902 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . 0.447 HD21 ' NE2' ' L' ' 103' ' ' GLN . 0.4 OUTLIER -165.86 177.26 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.898 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 65.05 111.166 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.846 0.355 . . . . 64.51 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -159.9 162.82 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 45.2 110.841 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -158.46 157.88 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.87 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.75 128.5 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.49 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -120.3 131.34 54.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 63.45 111.159 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -136.05 120.36 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 144.8 50.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 72.03 111.115 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -141.26 134.8 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.838 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.33 121.86 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.26 122.03 25.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.34 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.09 141.46 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.849 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.86 123.99 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.25 124.46 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.05 110.852 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.01 114.68 26.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.909 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.83 122.64 44.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 64.23 110.847 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -134.46 150.35 50.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.475 ' HE ' HD22 ' M' ' 114' ' ' LEU . 1.2 ptt85 -144.52 141.7 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 132.79 39.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.838 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . 0.529 ' HB2' ' NZ ' ' K' ' 112' ' ' LYS . . . -130.62 139.36 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.44 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.94 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.88 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -138.24 126.14 22.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 54.35 110.88 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.65 126.06 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.853 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . 0.655 HG13 ' OG ' ' K' ' 108' ' ' SER . 46.6 t -130.79 132.15 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 71.53 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -139.75 118.38 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -120.21 131.13 54.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.609 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.1 tm? -125.19 132.74 52.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.908 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.478 ' H ' HD22 ' E' ' 26' ' ' LEU . 3.4 ptp -130.33 133.26 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.886 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -162.91 173.32 13.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.879 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.175 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.14 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -159.49 162.38 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.857 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -156.75 156.0 32.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 131.34 3.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 63.31 112.46 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -118.3 130.88 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 65.14 111.125 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.05 124.84 23.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.41 143.41 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 73.13 111.151 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -135.71 135.14 39.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 62.22 110.829 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 120.81 12.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 64.31 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -130.1 123.58 30.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.44 138.03 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.833 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.82 123.73 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 54.24 110.899 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.17 125.2 36.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' N' ' 117' ' ' ARG . 4.9 mp -114.55 111.87 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 71.32 110.962 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.37 121.96 40.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.912 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -135.54 145.85 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 62.21 110.825 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -145.65 137.76 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 133.67 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.836 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . 0.656 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.84 141.58 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 54.43 111.102 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -142.91 134.74 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.998 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -137.24 129.52 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 50.02 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.62 125.89 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.53 127.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.15 111.102 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -143.16 115.43 8.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 73.23 110.865 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 24.2 t-105 -120.15 128.12 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.957 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.507 HD13 ' C ' ' F' ' 26' ' ' LEU . 3.0 tm? -125.8 132.41 52.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 50.02 110.954 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' F' ' 26' ' ' LEU . 3.4 ptp -132.12 130.2 40.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.863 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -164.69 173.05 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.15 110.898 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.186 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.828 0.347 . . . . 73.11 110.828 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.883 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.33 158.61 34.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . 0.402 ' CA ' ' HE2' ' O' ' 127' ' ' MET . . . -146.65 128.03 2.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 64.21 112.425 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -119.74 126.08 50.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 41.32 111.126 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -127.64 112.34 14.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.98 144.29 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.172 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.637 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -144.74 134.95 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 74.4 110.814 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.37 117.43 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 73.51 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -128.52 124.18 35.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.909 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -138.01 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.889 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 149.36 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.46 139.95 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 73.31 110.974 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' O' ' 117' ' ' ARG . 0.3 OUTLIER -128.5 123.26 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 72.3 110.928 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.84 123.05 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.25 110.827 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -132.44 120.07 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . 0.602 ' CD ' HD11 ' P' ' 114' ' ' LEU . 7.4 ptm180 -123.9 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 73.03 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 129.76 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.949 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.138 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -140.27 134.88 31.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -140.17 123.43 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.03 110.899 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -117.88 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.27 129.49 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.15 111.162 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.53 122.46 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.22 110.933 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.46 130.86 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.51 110.916 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.3 124.85 35.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.886 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.47 131.35 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 55.31 110.86 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . 0.588 HD21 ' NE2' ' M' ' 103' ' ' GLN . 3.2 p-10 -164.28 144.02 7.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . 0.434 HG23 ' O ' ' M' ' 101' ' ' HIS . 47.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.01 111.186 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 71.04 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -160.36 162.09 33.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.869 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.23 153.22 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.11 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.44 129.55 2.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 64.03 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p -117.6 124.63 49.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 74.12 111.059 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.22 110.867 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . 0.618 HG23 ' HB2' ' P' ' 124' ' ' GLN . 0.7 OUTLIER -121.0 147.03 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 74.23 111.15 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -138.81 135.24 34.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.84 116.2 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 74.05 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -127.43 125.35 40.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 72.52 110.929 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -135.59 145.97 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 31.35 110.831 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -153.02 149.28 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.2 110.903 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.29 139.21 35.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 71.43 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 122.5 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.939 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -124.87 122.64 37.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -131.67 119.74 21.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 61.14 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.36 138.67 54.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 130.01 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 63.01 110.868 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.51 137.37 53.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.91 135.71 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 62.42 110.902 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -141.09 123.89 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.4 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -116.28 130.14 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -131.64 128.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 65.03 111.147 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.12 117.0 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.1 129.11 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.574 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.4 OUTLIER -130.56 125.68 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.942 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.47 129.18 46.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.945 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.71 143.58 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 64.13 110.918 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.522 HG23 ' HA ' ' P' ' 102' ' ' SER . 41.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.22 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . 0.71 ' N ' HG23 ' A' ' 29' ' ' THR . 12.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.33 . . . . 64.45 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -164.31 158.57 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.907 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -111.1 127.88 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 63.33 110.975 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.63 139.1 10.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 53.32 112.514 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.792 HG23 ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -132.5 125.0 29.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 73.32 111.13 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -122.27 117.08 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -119.91 126.18 50.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.184 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 98.9 p -132.9 128.81 37.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 72.24 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -131.22 139.22 49.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 51.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.3 133.74 39.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.951 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -133.65 137.09 45.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 74.22 110.885 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.76 128.62 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -127.34 115.84 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 42.1 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 74.41 110.953 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -139.54 119.28 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 65.01 110.88 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.1 p -135.27 138.57 43.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.896 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.96 142.67 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 74.12 110.854 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.23 128.52 50.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 63.04 110.868 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.05 122.92 23.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 65.44 111.143 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -144.26 122.04 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 64.12 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -127.8 122.33 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -137.28 141.87 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 64.12 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 8' ' ' SER . 6.3 m -141.72 159.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.5 111.186 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -135.69 141.95 45.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -142.39 115.12 8.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.918 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.41 HD23 ' C ' ' I' ' 126' ' ' LEU . 1.8 tt -121.98 136.31 54.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.931 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 1.7 mmt -131.5 123.96 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 70.44 110.858 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -122.18 130.38 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.22 110.909 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.44 111.159 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.829 0.347 . . . . 75.31 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -165.57 156.76 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.846 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.82 126.34 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.87 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . 0.526 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -137.03 136.62 8.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 74.24 112.4 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . 0.616 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.7 OUTLIER -132.69 122.29 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 64.31 111.163 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -123.68 115.78 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 63.25 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -120.32 125.83 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.22 111.097 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . 0.43 ' HB2' HG22 ' B' ' 23' ' ' VAL . 98.1 p -134.18 124.79 26.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.95 141.68 47.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.874 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.62 135.36 44.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -129.47 138.81 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 64.41 110.903 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 129.34 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.902 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -125.16 115.4 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.955 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -118.94 136.65 53.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 53.1 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.89 119.51 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.865 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.2 p -136.9 136.05 38.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 53.15 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . 0.411 HH11 HD12 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -144.69 141.33 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.932 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -124.39 130.72 53.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.11 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.42 125.36 34.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.134 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.48 123.68 16.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.896 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -130.75 122.41 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.01 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.29 139.37 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.85 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.8 m -142.3 156.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.23 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -137.8 144.09 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.2 110.982 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.21 118.77 11.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -120.66 137.45 54.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 73.31 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . 0.423 ' HE2' ' HA3' ' D' ' 4' ' ' GLY . 1.8 mmt -130.35 125.67 35.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.881 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.04 130.11 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 42.1 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.162 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 74.54 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 91.7 p -149.82 169.47 21.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.15 110.903 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.96 126.96 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.878 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.539 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -138.67 137.36 8.65 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.713 -0.756 . . . . 73.3 112.493 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.847 ' HB ' HD23 ' C' ' 26' ' ' LEU . 10.8 t -126.66 128.43 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 75.2 111.196 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . 0.482 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 23.5 t80 -120.68 119.99 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.865 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . 0.67 HG23 ' HB2' ' C' ' 24' ' ' GLN . 2.5 m -126.36 124.87 41.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 71.51 111.106 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . 0.655 ' OG ' HG13 ' E' ' 23' ' ' VAL . 7.9 m -143.09 144.66 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 61.42 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.1 144.86 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.13 110.93 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -130.81 132.07 45.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 73.41 110.993 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -129.84 134.73 47.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 63.01 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -135.6 134.73 39.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 73.04 110.947 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -136.49 117.06 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 72.21 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.89 131.5 56.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.932 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.41 113.99 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 63.53 110.857 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.85 126.98 37.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 72.15 110.867 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' K' ' 119' ' ' ALA . 7.9 ptm180 -130.98 133.25 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.832 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.18 127.13 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . 0.478 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -134.04 123.39 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 71.24 111.077 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.72 126.47 16.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.893 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.81 136.39 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.845 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.33 145.3 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.9 m -142.38 150.57 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 44.51 111.165 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.05 139.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.13 110.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -132.44 134.47 45.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.99 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.698 HD21 ' OD1' ' K' ' 128' ' ' ASN . 7.3 tt -139.26 136.26 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 62.43 110.885 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -138.33 123.58 19.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.856 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . 0.698 ' OD1' HD21 ' K' ' 126' ' ' LEU . 2.2 m120 -124.28 134.72 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 72.04 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.199 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.807 0.337 . . . . 71.5 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 171.76 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 64.04 110.834 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . 0.447 ' NE2' HD21 ' D' ' 28' ' ' ASN . 0.6 OUTLIER -113.54 125.39 54.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 63.44 110.962 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.413 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -139.83 136.17 7.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 72.55 112.521 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.431 ' HB ' HD23 ' F' ' 26' ' ' LEU . 10.5 t -129.83 127.72 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 75.32 111.092 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -119.16 120.46 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.53 110.83 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -122.08 125.32 45.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 71.32 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . 0.757 ' OG ' HG13 ' D' ' 23' ' ' VAL . 7.3 m -144.5 140.97 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 62.25 110.862 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.73 145.82 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 73.15 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.43 129.9 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.896 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -128.18 134.43 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 52.33 110.882 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.59 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -135.28 134.96 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 51.22 110.922 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -134.32 116.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -117.73 131.19 56.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 72.45 110.889 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.05 113.94 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.41 110.858 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.8 124.79 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.832 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.56 129.6 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 127.18 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 63.23 110.835 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.62 125.77 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.09 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.86 127.1 21.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.959 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.42 139.39 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.942 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -143.98 142.67 30.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.897 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.76 146.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 73.14 111.098 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.87 139.14 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -132.66 136.61 46.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.669 HD13 HD13 ' K' ' 126' ' ' LEU . 5.9 tt -139.02 135.64 34.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -135.6 125.41 25.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . 0.632 ' OD1' HD21 ' L' ' 126' ' ' LEU . 2.1 m120 -124.25 136.06 53.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.879 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.11 111.184 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . 0.434 ' O ' HG23 ' G' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.338 . . . . 72.11 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 142.12 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . 0.588 ' NE2' HD21 ' G' ' 28' ' ' ASN . 0.5 OUTLIER -103.79 127.11 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.929 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.514 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -139.62 139.08 9.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 75.2 112.517 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.609 ' HB ' HD23 ' E' ' 26' ' ' LEU . 3.3 t -131.82 127.2 36.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 71.24 111.143 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -121.47 124.8 45.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 120.58 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.129 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.84 128.22 46.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.859 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.23 119.16 23.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.41 129.19 56.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.919 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -133.4 134.54 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 65.41 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.95 133.52 33.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 72.4 110.916 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.1 122.23 23.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -123.59 131.86 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 75.11 110.927 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.68 109.56 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.843 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 122.12 28.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.899 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 134.63 47.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.871 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.88 128.64 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 63.22 110.892 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.87 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.51 111.098 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.95 124.5 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.914 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -126.57 120.28 29.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 72.13 110.897 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -138.33 143.5 39.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.979 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.4 m -142.78 154.13 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 72.53 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.03 143.42 50.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -144.14 126.01 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.906 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' N' ' 126' ' ' LEU . 5.5 tt -131.49 129.26 40.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.48 128.69 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -131.64 134.61 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 62.13 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.136 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . 0.405 ' CG ' ' HG1' ' H' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.344 . . . . 74.24 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 141.76 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 62.52 110.78 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.04 125.06 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 70.22 110.851 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.574 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.67 137.87 8.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 54.03 112.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' F' ' 26' ' ' LEU . 3.9 t -130.35 130.93 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 73.02 111.17 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -119.18 130.01 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.91 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.61 118.24 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.178 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 124.52 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 63.25 110.916 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.51 120.11 22.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.14 127.39 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 50.54 110.93 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 13.2 m -133.95 135.35 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.786 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.656 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.6 OUTLIER -140.61 133.65 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 63.33 110.923 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -133.64 123.53 25.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -124.12 133.65 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.32 110.881 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.75 110.15 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.883 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.16 122.47 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.861 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -131.29 134.91 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.886 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.36 130.89 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.867 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.65 42.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 51.12 111.08 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -137.0 125.59 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.868 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -129.28 120.91 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.41 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -137.06 143.64 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 70.1 110.894 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.84 151.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.14 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.63 144.75 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.952 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -142.5 128.8 19.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 62.02 110.907 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' M' ' 126' ' ' LEU . 4.3 tt -129.46 129.47 44.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.42 110.956 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.16 133.18 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.52 110.867 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.95 132.92 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 63.42 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.12 111.127 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m170 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.735 0.302 . . . . 65.4 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 44.6 m -76.52 138.85 40.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.848 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.65 140.58 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 62.35 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.28 140.45 8.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 62.3 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.9 t -132.41 135.0 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 74.43 111.165 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -128.87 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 62.41 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 127.8 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.32 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.9 126.85 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.931 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -129.01 115.45 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -111.77 129.5 56.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.86 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.11 134.64 36.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 65.31 110.873 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 135.37 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 71.4 110.84 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.84 126.1 29.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.936 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' P' ' 114' ' ' LEU . 0.2 OUTLIER -129.76 123.17 30.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 43.51 110.905 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.78 114.27 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.852 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.0 124.35 30.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 64.14 110.797 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' G' ' 14' ' ' LEU . 7.7 ptm180 -130.7 138.9 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.13 136.44 52.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 70.12 110.916 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 124.05 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.101 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -131.99 122.59 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.51 110.868 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -134.39 121.59 21.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.55 143.04 39.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 71.31 110.888 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' G' ' 8' ' ' SER . 13.8 m -141.0 159.56 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 75.42 111.162 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.48 137.44 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.898 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 122.86 22.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 71.45 110.924 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' P' ' 126' ' ' LEU . 8.4 tt -123.75 130.86 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.402 ' HE2' ' CA ' ' G' ' 4' ' ' GLY . 5.6 mmt -127.03 125.2 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.902 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -126.91 131.99 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.161 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 73.35 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . 0.522 ' HA ' HG23 ' H' ' 29' ' ' THR . 45.1 m -75.37 139.11 42.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.794 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -120.28 139.98 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.15 7.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 44.14 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . 0.413 HG22 ' HB3' ' H' ' 26' ' ' LEU . 4.8 t -129.57 136.88 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 64.22 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -130.08 127.83 40.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.917 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.29 127.09 45.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 72.04 111.132 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.05 127.08 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 44.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -128.73 114.81 17.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 71.54 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.92 129.25 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.945 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.26 134.41 36.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 54.11 110.86 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.32 134.97 36.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.956 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.12 126.13 31.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 64.54 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -128.65 123.81 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.942 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.32 113.08 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.916 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.17 127.28 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 73.01 110.877 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' P' ' 119' ' ' ALA . 7.6 ptm180 -129.95 140.11 50.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.89 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.6 138.24 54.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.21 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -133.2 123.23 25.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 62.42 111.128 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -132.53 123.21 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -138.51 119.43 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.31 110.91 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -138.8 142.53 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 53.21 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 17.7 m -142.72 156.37 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.55 111.112 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . 0.618 ' HB2' HG23 ' H' ' 7' ' ' THR . 0.2 OUTLIER -139.75 134.87 32.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.892 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.79 123.55 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' O' ' 126' ' ' LEU . 8.8 tt -122.36 132.67 54.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.907 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . 0.404 ' N ' HD23 ' P' ' 126' ' ' LEU . 5.6 mmt -125.45 127.63 46.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.915 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -124.7 133.4 53.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 70.32 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.54 111.095 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.868 0.366 . . . . 65.12 111.153 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.58 112.49 14.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 65.02 110.812 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 m -127.03 148.14 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 74.43 111.169 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.612 ' HA ' HG12 ' I' ' 123' ' ' VAL . 10.9 t -143.36 135.15 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 54.54 110.785 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.98 137.86 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.904 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -146.1 124.1 12.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.41 110.917 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 124.75 25.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 65.33 110.871 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -136.79 130.79 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 75.4 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.21 150.67 51.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' I' ' 117' ' ' ARG . 3.1 pp -139.08 130.14 26.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.905 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.21 122.27 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.53 110.906 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.18 138.58 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.922 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -137.16 127.53 26.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.847 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -124.8 121.21 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 65.11 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.98 139.14 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 35.14 111.105 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -138.98 124.19 19.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.43 123.34 47.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.23 125.25 43.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -141.28 130.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.155 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.09 149.18 47.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.924 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -144.47 132.32 21.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.748 HD12 ' O ' ' I' ' 104' ' ' GLY . 61.2 tp -124.23 137.67 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 63.02 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.485 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 3.6 ptp -130.38 135.12 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.914 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.01 176.89 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.145 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.813 0.339 . . . . 62.35 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.05 161.89 41.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 64.23 110.879 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.84 162.48 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.888 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.07 136.84 5.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 64.32 112.491 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -124.21 121.49 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 54.21 111.167 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.35 119.08 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.403 HG23 ' HB3' ' J' ' 124' ' ' GLN . 2.4 m -120.19 149.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 60.42 111.15 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -139.38 135.32 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.869 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.13 136.85 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.936 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -144.46 125.46 14.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 75.43 110.91 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.29 127.63 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.52 110.8 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -134.1 134.37 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 74.13 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.8 147.3 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 71.54 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.37 126.47 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.92 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.37 122.97 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.955 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.03 137.45 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 51.11 110.83 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -136.66 124.54 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.822 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.87 122.38 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.824 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -127.29 139.28 53.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.15 111.109 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -138.95 125.08 20.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 63.23 110.945 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.52 126.42 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -122.98 124.97 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.856 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.429 HG13 ' OG ' ' J' ' 108' ' ' SER . 93.6 t -142.27 127.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 55.24 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 149.89 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.919 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -143.47 131.74 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.916 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.44 138.25 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.51 110.935 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -129.95 135.06 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.897 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -155.68 176.83 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 70.24 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 61.1 111.105 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 72.21 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . 0.592 ' CB ' HG23 ' K' ' 129' ' ' THR . 1.2 p -154.05 156.05 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 51.54 110.918 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.08 150.52 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . 0.486 ' HA3' ' HE3' ' K' ' 127' ' ' MET . . . -139.96 134.22 6.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 55.02 112.515 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -125.65 119.75 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 71.15 111.217 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 113.5 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -127.97 147.31 50.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.654 ' HA ' HG12 ' K' ' 123' ' ' VAL . 9.1 m -136.16 135.31 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.786 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 121.53 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -124.07 129.65 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.956 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -134.27 138.91 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 64.41 110.839 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -148.3 139.44 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -137.1 136.04 37.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 42.21 110.916 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 126.86 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 64.04 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.71 126.22 32.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 72.3 110.893 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 122.02 18.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.881 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.428 ' NE ' HD11 ' L' ' 114' ' ' LEU . 7.8 ptm180 -125.91 136.46 53.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.887 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -130.16 136.76 49.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.25 131.46 45.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.32 111.076 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.51 124.31 33.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.908 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.79 122.0 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -124.13 119.32 29.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.843 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.23 134.36 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 61.25 111.094 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.28 127.54 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.25 110.978 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -123.46 128.83 50.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.914 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.696 HD23 ' O ' ' K' ' 104' ' ' GLY . 0.4 OUTLIER -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 130.1 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -164.49 154.02 13.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.187 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 75.44 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -153.35 156.0 37.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.859 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.68 147.3 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.911 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.32 134.45 5.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 45.23 112.525 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -123.83 118.74 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 72.45 111.142 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.17 119.25 23.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 64.24 110.823 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -123.81 146.53 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 61.32 111.1 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.616 ' HA ' HG12 ' J' ' 123' ' ' VAL . 8.7 m -133.48 135.57 44.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.84 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.55 119.17 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.871 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -124.09 129.5 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.4 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -133.86 140.52 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.037 -0.529 . . . . 64.4 110.864 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -144.86 140.39 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -135.61 135.9 40.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 74.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 126.27 35.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.898 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.05 126.99 35.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.785 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 119.4 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.925 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -124.56 133.8 53.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -133.57 137.17 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.5 131.92 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.43 111.091 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.65 125.04 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 51.44 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.01 123.8 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.37 118.66 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.88 133.43 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 64.24 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . 0.526 ' HB3' HG23 ' L' ' 107' ' ' THR . 1.5 tp-100 -143.15 127.7 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.885 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -125.5 131.11 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 70.32 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' J' ' 105' ' ' THR . 0.4 OUTLIER -132.33 139.99 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.913 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.9 129.55 20.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.877 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -165.31 154.12 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 65.05 111.104 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 64.51 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.93 156.1 41.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 45.2 110.893 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -157.2 140.36 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.0 128.23 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 60.05 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 5.8 p -121.62 122.28 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.329 . . . . 63.45 111.185 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.93 112.69 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 75.24 110.843 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -128.88 148.9 50.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.03 111.126 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.636 ' HA ' HG12 ' M' ' 123' ' ' VAL . 68.8 m -141.22 135.32 30.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.838 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.21 119.7 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.873 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -123.48 122.86 39.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 63.34 110.919 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 140.66 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.927 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -152.69 135.2 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -131.15 135.53 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 115.0 18.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.22 122.69 43.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.35 119.0 20.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.851 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.492 HH11 HD11 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -131.3 139.53 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.856 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.9 145.69 42.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.798 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.5 143.34 50.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.071 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.35 134.01 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -139.93 136.69 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 54.35 110.799 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.26 118.34 23.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.09 116.24 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.53 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . 0.791 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.0 OUTLIER -147.45 139.13 24.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.982 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.2 p-90 -141.74 140.55 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 70.32 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 HG23 ' M' ' 105' ' ' THR . 2.3 tm? -127.45 127.3 43.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.953 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.569 ' N ' HD22 ' E' ' 26' ' ' LEU . 0.6 OUTLIER -120.05 131.35 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.844 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -163.98 154.25 15.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . 0.525 HG22 ' HB3' ' K' ' 102' ' ' SER . 18.6 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.14 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.99 156.24 41.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 73.42 110.85 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -153.65 136.14 15.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 72.31 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 128.41 4.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . 0.672 HG22 HD12 ' N' ' 126' ' ' LEU . 7.7 p -119.95 121.51 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 65.14 111.128 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.43 117.55 19.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.915 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 24.4 m -124.6 149.24 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.088 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.415 ' HA ' HG12 ' L' ' 123' ' ' VAL . 68.7 m -137.83 135.41 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.939 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.55 117.11 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 110.795 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -123.09 123.38 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.968 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.91 139.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.862 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -148.44 137.07 21.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 54.24 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -130.7 134.06 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 60.22 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.84 116.23 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 71.32 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.9 122.76 41.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.912 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.33 119.87 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 62.21 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.5 137.68 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 74.42 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -138.74 143.06 38.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -129.63 140.39 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 54.43 111.074 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.87 135.56 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.936 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.02 110.851 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -125.95 117.45 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.804 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.35 118.33 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.15 111.13 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.07 134.4 19.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.883 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . 0.456 ' CZ3' ' HE1' ' F' ' 27' ' ' MET . 1.6 p-90 -139.96 140.42 36.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.944 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.654 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.3 tm? -123.84 128.01 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.02 110.882 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . 0.456 ' HE1' ' CZ3' ' F' ' 25' ' ' TRP . 0.9 OUTLIER -123.24 129.89 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.871 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -164.94 153.84 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.888 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . 0.443 HG22 ' HB3' ' N' ' 102' ' ' SER . 19.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.51 111.146 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.337 . . . . 73.11 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . 0.567 ' HB3' HG23 ' O' ' 129' ' ' THR . 34.3 p -174.57 160.09 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.909 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -159.0 138.35 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 128.24 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 64.21 112.53 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -121.69 119.28 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 41.32 111.128 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -128.45 121.77 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.33 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -134.23 143.14 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.052 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.625 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.2 t -133.7 135.21 43.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.896 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.91 115.67 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.857 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -121.02 121.46 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.981 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -129.76 143.2 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.801 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -157.04 137.51 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 71.43 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -135.35 140.03 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.935 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.58 123.14 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.94 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -125.8 124.57 41.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.924 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 126.55 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 65.11 110.833 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . 0.558 ' NH1' HD13 ' O' ' 114' ' ' LEU . 7.2 ptm180 -131.46 139.59 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 73.03 110.85 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.74 138.19 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.88 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.43 139.33 50.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 72.22 111.136 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.22 134.09 28.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.93 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.55 134.54 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 71.03 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.25 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' M' ' 106' ' ' PHE . 24.2 t -137.96 133.54 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.15 111.11 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.54 130.67 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 52.22 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 130.32 44.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.55 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.2 tm? -128.28 132.18 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 74.22 110.915 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.417 ' H ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -134.13 129.81 36.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 55.31 110.942 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.45 162.58 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 74.01 111.117 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 71.04 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -173.82 161.39 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.844 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -155.36 133.46 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 128.76 5.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 64.03 112.539 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . 0.843 HG22 HD12 ' P' ' 126' ' ' LEU . 16.1 p -120.68 119.88 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 74.12 111.097 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -127.09 125.51 41.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 63.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -129.75 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.093 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -130.84 134.94 47.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.1 112.96 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.05 110.886 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -121.31 121.21 37.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 72.52 110.962 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -128.72 142.15 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 31.35 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -152.61 139.27 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.2 110.879 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -133.21 138.28 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.04 120.06 24.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 62.14 110.905 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -126.48 123.14 37.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.863 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 124.16 25.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 61.14 110.86 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . 0.592 ' NH1' HD13 ' N' ' 114' ' ' LEU . 6.8 ptm180 -131.59 136.49 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.15 110.847 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.24 137.98 44.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 63.01 110.827 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.99 140.07 51.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 71.23 111.05 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.57 133.96 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 62.42 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.97 132.53 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 73.4 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.79 137.67 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.48 129.99 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.03 111.097 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 129.0 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.944 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.21 128.76 38.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.491 HD13 ' C ' ' H' ' 26' ' ' LEU . 3.1 tm? -129.06 132.4 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.961 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . 0.48 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -135.59 128.48 31.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.842 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . 0.486 HD21 ' NE2' ' P' ' 103' ' ' GLN . 0.2 OUTLIER -165.18 164.93 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.13 110.841 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 65.22 111.161 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 64.45 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.33 166.69 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.84 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.1 127.35 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 63.33 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . 0.748 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -135.31 138.99 10.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 53.32 112.448 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.704 HG23 HD13 ' A' ' 26' ' ' LEU . 1.1 m -128.97 119.19 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 73.32 111.142 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -116.57 126.33 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.855 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.4 122.87 34.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -130.76 128.12 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.825 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -142.56 136.01 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 51.21 110.858 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -133.59 130.89 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.983 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.46 134.68 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.874 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 128.79 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 63.41 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -134.84 125.14 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 42.1 110.917 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 137.86 54.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.41 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -140.01 117.18 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 65.01 110.887 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 27.3 m -120.78 133.67 55.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -135.68 124.45 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.892 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -129.35 125.39 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 63.04 110.879 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.15 123.69 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 65.44 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -130.37 128.24 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.12 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.91 133.31 41.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.809 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -146.03 143.96 29.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 8' ' ' SER . 10.1 m -141.1 155.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 74.5 111.11 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.02 135.08 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.05 110.872 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -136.49 113.45 10.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 71.34 110.938 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' J' ' 126' ' ' LEU . 4.4 tt -121.73 130.78 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.5 129.16 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.871 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.05 139.84 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 65.22 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 64.44 111.063 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.795 0.331 . . . . 75.31 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.2 166.68 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.79 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.4 125.9 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.928 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . 0.476 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -135.2 137.68 9.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.488 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . 0.698 HG23 ' HG ' ' D' ' 26' ' ' LEU . 1.2 m -129.05 119.3 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 64.31 111.122 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -117.75 126.1 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.25 110.867 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.38 121.48 32.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.112 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . 0.429 ' OG ' HG13 ' B' ' 23' ' ' VAL . 1.6 m -133.3 124.76 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.941 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -144.15 139.78 29.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -131.05 130.04 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.2 135.04 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -135.89 128.09 29.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.902 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -133.24 126.23 31.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 74.1 110.949 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.02 139.63 53.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 53.1 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -137.08 119.56 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.852 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 27.0 m -122.27 130.6 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 53.15 110.843 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.89 125.37 23.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -130.05 128.74 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.03 126.26 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.108 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -132.93 127.16 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.23 134.97 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.846 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -146.12 139.25 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.21 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' D' ' 8' ' ' SER . 13.9 m -141.65 154.54 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.23 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . 0.403 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.7 OUTLIER -133.12 138.58 46.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.2 110.947 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -130.76 115.87 17.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' I' ' 126' ' ' LEU . 4.1 tt -119.97 131.04 55.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.44 133.99 51.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 72.32 110.901 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.84 138.05 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 42.1 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.129 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 60.4 m170 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 74.54 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . 0.525 ' HB3' HG22 ' E' ' 29' ' ' THR . 5.9 p -119.05 161.62 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.937 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.11 128.93 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.932 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.696 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -137.49 137.5 8.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 73.3 112.463 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.4 t -133.9 136.28 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 75.2 111.128 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -132.58 114.53 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.4 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.182 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 124.64 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 61.42 110.829 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.49 132.18 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 54.13 110.965 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -131.14 127.65 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.93 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -126.92 134.14 50.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 63.01 110.974 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 133.93 44.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.04 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -133.69 115.98 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.32 120.96 39.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.529 . . . . 74.42 110.904 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -129.23 113.25 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.888 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -129.45 131.4 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.855 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.498 HH22 ' HB2' ' K' ' 119' ' ' ALA . 7.3 ptm180 -140.26 143.36 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.833 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.53 140.53 44.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.905 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . 0.498 ' HB2' HH22 ' K' ' 117' ' ' ARG . . . -137.44 123.67 20.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.118 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -134.41 129.15 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.957 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.27 129.96 32.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.857 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -140.8 144.94 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.886 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.9 m -140.81 154.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 44.51 111.1 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -126.34 130.57 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -133.36 111.04 10.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.706 HD21 ' ND2' ' K' ' 128' ' ' ASN . 1.2 tt -121.06 129.99 53.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 62.43 110.993 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . 0.486 ' HE3' ' HA3' ' C' ' 4' ' ' GLY . 0.0 OUTLIER -125.56 125.04 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.904 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . 0.706 ' ND2' HD21 ' K' ' 126' ' ' LEU . 8.4 m-20 -128.15 134.41 49.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.04 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . 0.592 HG23 ' CB ' ' C' ' 2' ' ' SER . 3.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 71.5 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.57 162.64 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 64.04 110.853 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.1 OUTLIER -103.29 126.49 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.94 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.603 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -136.96 135.66 7.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.653 -0.784 . . . . 72.55 112.416 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.654 ' HB ' HD23 ' F' ' 26' ' ' LEU . 2.8 t -132.46 129.07 38.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 75.32 111.137 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' F' ' 25' ' ' TRP . 4.3 t80 -127.77 111.66 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 75.53 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 24' ' ' GLN . 0.6 OUTLIER -112.23 125.97 54.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.32 111.108 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 124.41 23.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -135.12 133.67 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.857 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -129.3 127.78 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.914 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -127.61 135.41 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.33 110.862 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.82 134.53 46.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.513 . . . . 51.22 110.878 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -131.84 115.43 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -118.79 122.7 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.901 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.33 114.11 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.41 110.861 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 84.4 p -129.64 130.43 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.86 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.45 HH22 ' HB2' ' L' ' 119' ' ' ALA . 7.6 ptm180 -137.89 143.86 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.824 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.31 140.35 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.23 110.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . 0.45 ' HB2' HH22 ' L' ' 117' ' ' ARG . . . -137.83 124.24 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.43 111.073 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -135.04 127.54 30.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.08 131.85 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.53 144.67 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.32 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' F' ' 8' ' ' SER . 14.2 m -140.74 150.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.155 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -130.42 133.11 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.919 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -129.56 111.97 13.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.582 HD21 HD21 ' L' ' 128' ' ' ASN . 1.2 tt -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 128.67 47.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.857 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . 0.582 HD21 HD21 ' L' ' 126' ' ' LEU . 8.8 m-20 -125.83 132.77 52.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 54.11 111.128 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' E' ' 29' ' ' THR . 5.4 m-70 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.803 0.335 . . . . 72.11 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 148.98 26.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.876 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.79 130.3 53.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.496 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 75.2 112.48 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.645 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -125.84 132.34 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 71.24 111.089 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . 0.662 ' CZ ' HG13 ' G' ' 23' ' ' VAL . 35.7 t80 -129.03 127.0 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.918 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . 0.791 HG22 ' HG3' ' E' ' 24' ' ' GLN . 11.3 p -133.35 116.2 15.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.148 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 28.0 t -133.16 134.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.91 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -131.61 143.37 50.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.793 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -131.24 140.98 49.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.928 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -146.63 134.23 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.852 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 133.24 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 72.4 110.866 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -125.24 115.09 19.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.853 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -120.23 121.57 39.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.898 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -132.61 111.12 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 75.0 m -127.17 126.6 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.87 138.55 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.822 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -126.92 140.19 52.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.22 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.78 123.18 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 70.51 111.074 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.86 126.23 24.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.967 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.68 128.25 28.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.934 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.7 142.98 38.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.899 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.636 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.5 m -140.58 154.7 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.104 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.05 134.84 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -138.92 112.36 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.606 HD21 ' ND2' ' M' ' 128' ' ' ASN . 0.4 OUTLIER -126.71 134.54 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.1 110.887 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.71 124.18 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.12 110.881 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . 0.606 ' ND2' HD21 ' M' ' 126' ' ' LEU . 30.7 m-20 -126.0 140.74 52.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 62.13 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.168 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.719 0.295 . . . . 74.24 110.814 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . 0.443 ' HB3' HG22 ' F' ' 29' ' ' THR . 5.0 p -84.29 148.99 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.52 110.874 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.81 126.54 52.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 70.22 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.01 135.53 7.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.764 . . . . 54.03 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.9 132.74 43.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 73.02 111.131 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -126.86 129.49 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 15.7 p -129.4 117.47 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.191 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -134.07 125.22 27.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 63.25 110.889 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -134.25 144.47 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -133.59 139.64 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 50.54 110.913 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -143.61 134.81 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.851 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -132.88 133.56 43.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 63.33 110.935 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -126.15 115.2 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 74.23 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.592 HD13 ' NH1' ' H' ' 17' ' ' ARG . 0.0 OUTLIER -120.01 121.09 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 73.32 110.969 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -134.66 109.73 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.911 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 75.6 m -125.92 129.88 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.89 137.09 42.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 139.74 53.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 70.41 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.6 124.32 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 51.12 111.171 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.43 126.9 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 73.33 110.901 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -137.51 127.58 25.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.884 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -136.82 142.25 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 70.1 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 m -141.07 150.2 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 75.12 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -131.8 136.09 47.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 64.35 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -136.62 115.12 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 62.02 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.672 HD12 HG22 ' F' ' 5' ' ' THR . 0.5 OUTLIER -124.79 134.71 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.873 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.8 125.71 36.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.881 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . 0.514 ' ND2' HD21 ' N' ' 126' ' ' LEU . 27.3 m-20 -121.78 139.73 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 63.42 110.879 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.086 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.4 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -75.07 174.84 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.88 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.19 134.92 54.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 62.35 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.55 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -146.6 138.54 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.659 -0.781 . . . . 62.3 112.436 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.493 HG23 HD23 ' G' ' 26' ' ' LEU . 1.0 OUTLIER -133.83 132.02 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 74.43 111.166 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -128.75 133.62 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 62.41 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.46 131.17 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 75.32 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.92 136.76 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.889 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -134.94 136.77 42.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.849 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.52 128.9 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.914 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -135.35 135.34 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 65.31 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . 0.627 ' CE ' HD12 ' O' ' 114' ' ' LEU . 16.1 tptt -136.36 133.52 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.886 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -131.03 119.66 22.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.931 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.627 HD12 ' CE ' ' O' ' 112' ' ' LYS . 0.0 OUTLIER -123.46 117.33 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 43.51 110.912 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 111.38 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.874 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -130.03 129.57 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' O' ' 119' ' ' ALA . 7.4 ptm180 -137.77 141.62 40.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.72 140.78 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.823 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . 0.544 ' HB2' HH21 ' O' ' 117' ' ' ARG . . . -135.56 123.67 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.156 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -137.02 124.39 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -134.93 127.29 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -138.38 143.7 39.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.5 m -142.05 151.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.42 111.164 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -130.03 137.42 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -139.58 116.61 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.752 HD21 ' ND2' ' O' ' 128' ' ' ASN . 2.6 tt -125.58 132.23 52.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.922 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 124.23 38.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.875 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . 0.752 ' ND2' HD21 ' O' ' 126' ' ' LEU . 71.9 m-20 -123.33 134.83 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . 0.567 HG23 ' HB3' ' G' ' 2' ' ' SER . 8.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.32 111.165 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 73.35 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 52.5 p -76.66 177.44 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . 0.486 ' NE2' HD21 ' H' ' 28' ' ' ASN . 0.3 OUTLIER -116.88 134.95 54.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.8 140.06 8.41 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 44.14 112.518 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.25 136.28 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 64.22 111.145 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -129.16 133.47 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 64.45 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.59 130.26 34.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.194 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.36 139.14 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 44.0 110.829 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -136.3 136.06 39.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.874 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 127.76 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -137.59 134.76 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 54.11 110.86 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' P' ' 114' ' ' LEU . 16.1 tptt -139.14 132.7 30.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.905 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -130.81 120.02 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.54 110.941 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' P' ' 112' ' ' LYS . 0.0 OUTLIER -122.36 118.25 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.844 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.64 109.98 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.811 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -129.09 131.28 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.01 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -138.99 140.59 38.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 71.21 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 141.8 51.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.82 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.33 123.53 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 62.42 111.096 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -136.79 126.15 24.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.921 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -137.98 125.56 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 53.31 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -137.54 143.89 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 53.21 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.96 150.21 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 54.55 111.084 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -131.63 136.47 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 71.21 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -139.44 117.69 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.939 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.843 HD12 HG22 ' H' ' 5' ' ' THR . 2.6 tt -126.1 132.69 51.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.69 125.47 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.948 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . 0.71 ' ND2' HD21 ' P' ' 126' ' ' LEU . 71.5 m-20 -121.91 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 70.32 110.953 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.76 0.314 . . . . 65.12 111.147 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -126.07 111.65 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.836 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.09 141.15 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.141 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.628 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.9 t -140.29 134.88 31.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 54.54 110.859 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.76 118.82 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.04 110.87 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.72 127.04 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.934 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -136.65 136.79 39.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 65.33 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 138.97 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.955 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -133.1 143.75 49.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' HG3' ' I' ' 117' ' ' ARG . 2.5 tt -138.78 137.54 36.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.903 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.21 122.87 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.895 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.11 128.46 50.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.903 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -128.43 130.75 48.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.35 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -132.27 121.79 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.07 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 35.14 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -144.11 123.74 13.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 74.32 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -118.59 128.59 54.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.94 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.51 122.76 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.02 110.823 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.4 117.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.766 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.4 OUTLIER -134.39 143.64 47.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.915 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -156.74 143.03 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 74.51 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB3' HG23 ' I' ' 105' ' ' THR . 0.5 OUTLIER -134.57 147.96 50.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 63.02 110.933 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.54 133.69 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 71.21 110.878 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -136.78 173.28 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.187 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 62.35 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.18 156.71 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 64.23 110.808 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -155.11 143.03 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 130.51 4.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 64.32 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -122.09 126.21 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 54.21 111.154 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.5 112.24 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 139.93 49.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.42 111.127 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -136.65 134.74 37.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 72.1 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.7 119.78 13.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 64.32 110.906 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -128.57 128.37 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.923 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -133.56 138.89 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 74.52 110.835 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -139.8 138.0 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 74.13 110.876 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -131.12 142.59 50.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 71.54 110.98 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -142.01 135.24 29.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -142.32 123.04 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.896 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 128.58 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 51.11 110.802 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -125.98 127.46 45.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -135.33 121.22 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 73.25 110.87 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.644 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -122.11 143.19 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 72.15 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -143.09 124.07 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.903 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.53 131.67 56.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.84 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -123.7 120.89 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.37 117.58 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 55.24 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.49 148.81 49.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.876 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -152.63 134.51 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.973 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.63 148.79 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.5 133.53 48.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.882 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -136.59 172.38 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 70.24 110.931 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 61.1 111.119 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 72.21 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.29 155.35 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 51.54 110.9 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.32 145.04 21.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 63.01 110.962 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . 0.436 ' HA3' ' HE2' ' K' ' 127' ' ' MET . . . -137.17 128.31 4.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 55.02 112.501 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -121.84 125.82 47.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 71.15 111.16 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.02 111.49 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 139.84 50.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.155 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' K' ' 123' ' ' VAL . 6.3 m -140.03 134.87 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.835 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 120.51 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -130.38 123.51 30.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.911 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.05 136.69 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.849 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . 0.433 ' HD3' HD11 ' C' ' 14' ' ' LEU . 0.0 OUTLIER -138.95 138.41 37.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.912 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -132.49 138.0 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 42.21 110.968 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.1 OUTLIER -132.53 130.55 40.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.04 110.966 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.27 123.01 24.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.824 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.94 119.89 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.893 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.77 132.86 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.881 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -132.33 132.01 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HE2' ' I' ' 112' ' ' LYS . . . -130.96 140.32 50.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.111 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -146.24 123.29 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -124.42 139.25 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.82 131.44 49.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.947 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.44 117.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 61.25 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.19 135.53 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.914 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.401 ' NE1' ' HB3' ' K' ' 106' ' ' PHE . 6.1 p-90 -139.86 148.91 42.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' K' ' 105' ' ' THR . 0.1 OUTLIER -126.91 148.73 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.55 110.832 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.24 130.66 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.829 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.55 153.95 17.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 65.11 111.194 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.822 0.344 . . . . 75.44 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.25 154.84 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.916 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -154.0 141.45 19.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 130.43 4.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 45.23 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -121.51 123.49 42.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 72.45 111.115 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -123.99 112.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 64.24 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.62 138.41 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.32 111.165 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' J' ' 123' ' ' VAL . 6.0 m -135.84 134.96 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.39 119.86 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.802 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -130.88 123.23 28.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 70.4 110.917 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.17 138.85 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 64.4 110.889 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . 0.695 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -136.12 138.26 41.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.969 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 11.0 t80 -132.28 136.11 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 74.31 110.961 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.695 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.3 OUTLIER -134.62 130.08 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.922 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.85 124.31 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.867 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.94 119.29 27.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.543 ' NE ' HD11 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -122.85 131.4 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.21 110.877 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -135.1 131.99 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.32 139.02 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.062 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.68 123.37 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 51.44 110.896 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -121.42 141.41 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -126.71 132.3 51.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.66 121.03 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 64.24 111.179 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 135.44 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.854 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -140.75 140.5 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 70.32 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' J' ' 105' ' ' THR . 0.1 OUTLIER -128.37 141.98 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 74.24 110.918 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.69 126.99 26.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.851 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -166.16 152.89 9.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.02 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 65.05 111.168 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 64.51 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . 0.414 ' HB3' HG23 ' M' ' 129' ' ' THR . 0.0 OUTLIER -156.04 158.8 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 45.2 110.845 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.866 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.89 3.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 60.05 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.15 132.53 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 63.45 111.171 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.32 111.76 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.915 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 136.19 53.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.03 111.169 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.659 ' HA ' HG12 ' M' ' 123' ' ' VAL . 2.9 t -136.97 134.31 36.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.859 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.12 132.5 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.35 110.84 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -141.39 127.32 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.901 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.6 134.94 47.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.818 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . 0.476 ' CE ' HD11 ' E' ' 14' ' ' LEU . 11.4 ptmt -137.58 126.78 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.875 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.78 124.13 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.949 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.754 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.2 OUTLIER -113.54 112.51 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 75.22 110.909 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -114.05 121.04 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.9 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 53.6 p -133.75 138.78 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.85 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.4 HH11 HD13 ' M' ' 114' ' ' LEU . 7.4 ptm180 -142.52 139.83 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.869 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.26 132.92 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.879 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.93 139.54 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.44 111.146 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -146.9 123.52 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.976 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.31 135.95 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 54.35 110.832 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.55 132.5 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.912 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.79 117.76 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -151.94 137.45 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 4.4 p-90 -139.03 143.5 38.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.32 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -120.99 134.45 55.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.573 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.1 ptp -126.79 131.66 51.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.861 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.09 177.12 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.116 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 73.14 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.19 157.24 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.8 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -151.89 145.38 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 72.31 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.82 129.38 3.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.503 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.11 129.95 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 65.14 111.123 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.74 113.44 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 136.42 53.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.171 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.55 ' HA ' HG12 ' L' ' 123' ' ' VAL . 2.9 t -132.76 134.66 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 62.22 110.843 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.19 131.5 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 64.31 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -141.46 127.0 18.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.915 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.74 132.9 44.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.832 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.598 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 11.3 ptmt -139.81 128.95 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 54.24 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -129.29 123.07 30.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.646 HD23 ' HD2' ' L' ' 117' ' ' ARG . 0.4 OUTLIER -112.02 112.84 24.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.929 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.36 122.29 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.924 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 53.9 p -133.19 139.64 47.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.822 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -143.3 138.38 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.829 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -136.37 135.11 38.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . 0.791 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.69 139.74 52.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 54.43 111.113 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.17 124.15 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -126.9 137.91 53.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 50.02 110.814 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.58 135.88 54.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.844 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.23 121.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 74.15 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -151.84 136.8 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.23 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -143.97 142.43 30.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.626 HD22 ' O ' ' L' ' 104' ' ' GLY . 3.4 tm? -120.76 133.49 55.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 50.02 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . 0.471 ' N ' HD13 ' F' ' 26' ' ' LEU . 2.6 ptp -127.8 129.9 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.883 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.48 177.2 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . 0.683 HG23 ' HA ' ' N' ' 102' ' ' SER . 3.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.178 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 73.11 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.67 153.62 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.884 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -151.61 144.34 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.05 128.35 4.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 64.21 112.505 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -121.62 131.97 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.3 . . . . 41.32 111.147 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -131.3 111.7 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.826 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 134.45 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.32 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.576 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.7 OUTLIER -130.83 135.22 47.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.849 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.64 130.42 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -140.51 134.15 30.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.854 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -124.12 138.83 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 72.4 110.83 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -134.75 124.06 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.93 131.69 53.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.915 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -129.84 112.4 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.3 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -123.14 122.45 38.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.12 129.63 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.11 110.912 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' P' ' 114' ' ' LEU . 6.9 ptm180 -134.18 138.9 45.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 73.03 110.898 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -133.92 135.46 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.63 139.17 54.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.22 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -148.6 124.17 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 73.1 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.56 128.09 34.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 71.03 110.891 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.18 133.24 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.47 138.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.15 111.102 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.8 151.95 34.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 52.22 110.947 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -152.98 131.41 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 71.51 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' O' ' 105' ' ' THR . 3.3 tm? -121.22 133.47 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.428 ' N ' HD13 ' G' ' 26' ' ' LEU . 3.7 ptp -125.94 133.64 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 55.31 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -160.59 174.83 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.866 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.01 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 71.04 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.12 152.38 34.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.872 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -149.93 141.6 23.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.974 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 131.17 4.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 64.03 112.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -119.09 129.9 55.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 74.12 111.108 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.77 112.26 12.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 132.37 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.199 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.457 ' HA ' HG12 ' N' ' 123' ' ' VAL . 0.7 OUTLIER -128.24 134.59 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.838 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.66 126.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.816 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -139.63 131.77 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.919 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -126.82 136.93 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 31.35 110.834 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . 0.507 ' HE3' HD11 ' H' ' 14' ' ' LEU . 20.5 ttpt -136.32 126.3 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.869 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -121.87 133.19 54.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.507 HD11 ' HE3' ' H' ' 12' ' ' LYS . 3.3 mp -125.68 112.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.14 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -120.99 122.58 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.842 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.07 128.65 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 61.14 110.84 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -133.86 135.41 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -134.79 134.59 41.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 63.01 110.881 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.29 138.63 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.23 111.106 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -146.31 125.58 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 62.42 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -133.68 129.15 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.4 110.832 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.08 135.34 54.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.817 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -136.33 136.21 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.03 111.114 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.46 151.33 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.93 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . 0.48 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 5.8 t90 -160.71 130.06 4.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.625 HD22 ' O ' ' N' ' 104' ' ' GLY . 3.3 tm? -121.99 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.44 110.925 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . 0.48 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 3.2 ptp -125.43 131.69 52.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.938 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -162.25 176.55 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.91 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.22 111.141 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.831 0.348 . . . . 64.45 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -179.93 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.01 110.827 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.21 127.1 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 63.33 110.893 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.77 139.08 13.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 53.32 112.498 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 26' ' ' LEU . 5.7 m -130.77 124.88 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 73.32 111.123 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -121.9 133.65 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.917 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 24' ' ' GLN . 14.2 m -138.87 120.09 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.113 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 27.4 t -130.53 132.83 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.23 140.62 35.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 51.21 110.826 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -131.59 127.63 37.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 75.54 110.966 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.92 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.903 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . 0.55 ' NZ ' HD12 ' I' ' 114' ' ' LEU . 0.4 OUTLIER -134.12 128.33 33.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.831 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -129.83 124.61 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 42.1 110.902 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.55 HD12 ' NZ ' ' I' ' 112' ' ' LYS . 0.0 OUTLIER -127.75 126.4 41.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.922 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.48 112.24 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 65.01 110.829 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 9.4 t -113.4 139.68 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 64.33 110.794 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . 0.56 ' HG3' HD12 ' A' ' 14' ' ' LEU . 6.0 ttp85 -150.36 139.26 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 74.12 110.826 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 135.4 29.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.836 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.45 123.68 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.44 111.035 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.5 123.82 28.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 64.12 110.9 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -132.68 126.05 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 63.22 110.866 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -142.16 144.9 33.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.905 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.7 m -142.77 160.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -139.52 139.04 36.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.05 110.898 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.55 122.5 24.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 71.34 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.452 HD23 ' C ' ' I' ' 126' ' ' LEU . 8.9 tt -116.2 125.7 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.406 . . . . 73.1 110.972 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 3.6 mmt -122.69 124.81 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.902 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.942 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.44 111.117 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 75.31 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 -179.82 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.895 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.39 127.08 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.891 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.23 138.59 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 74.24 112.478 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . 0.434 ' HA ' ' HG ' ' D' ' 26' ' ' LEU . 5.8 m -126.37 122.97 36.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.338 . . . . 64.31 111.097 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -125.79 137.27 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 13.9 m -138.94 118.64 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.22 111.15 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 27.3 t -132.56 126.75 33.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 70.42 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -144.71 143.53 30.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.14 127.75 42.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.888 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.18 134.5 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.644 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 0.4 OUTLIER -133.98 128.46 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.899 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.76 125.57 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.1 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.603 HD12 ' HZ2' ' J' ' 112' ' ' LYS . 0.0 OUTLIER -129.51 125.47 36.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 53.1 110.913 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.0 112.19 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.862 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 9.3 t -116.21 138.5 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 53.15 110.86 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . 0.537 ' HD2' HD23 ' D' ' 14' ' ' LEU . 5.8 ttp85 -147.87 142.12 26.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.882 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . 0.401 ' HG2' ' HB3' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -144.51 136.7 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . 0.439 ' HB3' ' CG ' ' B' ' 12' ' ' LYS . . . -134.14 126.26 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.118 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.11 122.71 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.958 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -132.55 129.98 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.809 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -141.0 143.99 34.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' D' ' 8' ' ' SER . 15.6 m -142.46 158.17 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 64.23 111.197 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -142.81 139.95 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.932 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -129.89 123.47 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.449 ' C ' HD23 ' J' ' 126' ' ' LEU . 9.0 tt -118.17 124.73 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.81 127.48 50.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 72.32 110.821 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -126.4 126.91 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 42.1 110.895 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 73.14 111.154 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 74.54 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 147.55 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 71.15 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.59 127.45 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.21 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.52 142.66 13.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 73.3 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.448 ' HB ' HD21 ' C' ' 26' ' ' LEU . 7.0 t -137.29 126.77 25.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 75.2 111.166 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' NE1' ' C' ' 25' ' ' TRP . 27.8 t80 -125.57 119.78 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.832 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -129.94 124.41 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.51 111.151 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -142.18 147.49 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 61.42 110.911 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.19 148.7 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 54.13 110.839 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.79 128.58 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.903 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -125.17 134.48 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.01 110.897 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 138.47 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -140.74 124.32 16.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -127.72 129.41 47.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.937 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.08 109.96 11.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 63.53 110.832 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -115.3 121.35 42.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.819 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.679 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.3 OUTLIER -130.42 144.6 51.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.11 110.874 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.64 138.82 27.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.28 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.092 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -129.27 122.11 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 71.03 110.955 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -127.93 125.37 39.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -141.47 142.59 33.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 73.35 110.908 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' C' ' 8' ' ' SER . 8.7 m -142.84 157.05 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 44.51 111.177 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.44 139.31 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 65.13 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -131.09 121.34 24.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.95 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.469 HD23 ' C ' ' K' ' 126' ' ' LEU . 9.6 tt -115.05 124.09 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.926 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . 0.436 ' HE2' ' HA3' ' C' ' 4' ' ' GLY . 3.9 mmt -121.49 124.87 45.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.843 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.63 129.07 46.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 72.04 110.881 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.02 111.189 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 71.5 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.28 148.94 30.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 64.04 110.815 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . 0.428 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.7 OUTLIER -106.91 125.52 51.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 63.44 110.84 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.626 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -130.4 136.57 8.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.55 112.48 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.587 ' HB ' HD23 ' F' ' 26' ' ' LEU . 9.8 t -135.0 127.8 31.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.326 . . . . 75.32 111.169 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -126.12 117.97 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -122.24 126.64 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.32 111.18 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 61.8 p -143.53 141.39 30.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 62.25 110.831 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.01 150.04 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.41 127.63 41.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.898 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -123.53 134.58 53.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 52.33 110.822 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.1 OUTLIER -139.8 140.02 36.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 51.22 110.947 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -138.9 125.2 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -126.69 130.0 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.45 110.932 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.97 110.1 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 63.41 110.89 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 122.17 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.852 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.646 ' HD2' HD23 ' F' ' 14' ' ' LEU . 0.2 OUTLIER -132.2 146.26 51.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.886 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -149.36 139.71 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 63.23 110.858 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.25 123.94 19.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -126.09 122.38 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.973 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -128.6 126.62 40.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.906 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -138.65 142.35 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.32 110.892 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' F' ' 8' ' ' SER . 11.9 m -142.46 154.96 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.085 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.24 139.76 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 75.42 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.94 121.75 28.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.47 ' C ' HD23 ' L' ' 126' ' ' LEU . 9.7 tt -116.09 123.41 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.965 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.81 126.43 50.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 128.21 45.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 54.11 111.075 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 72.11 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.65 145.37 26.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.808 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 127.46 53.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.57 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.16 138.66 9.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.48 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.717 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.7 t -125.81 134.12 51.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 71.24 111.199 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 18.3 t80 -124.68 121.96 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.4 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -128.62 129.08 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.205 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 68.6 p -147.17 146.83 30.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.835 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.37 149.53 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.73 127.78 39.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.927 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.66 134.75 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 65.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 141.47 36.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.4 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -138.74 133.46 32.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.966 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.4 HD13 HH11 ' E' ' 17' ' ' ARG . 0.0 OUTLIER -133.43 129.75 37.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.943 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.31 117.55 14.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -131.86 127.64 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.881 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . 0.754 ' HD2' HD23 ' E' ' 14' ' ' LEU . 8.5 mtp180 -124.97 130.39 52.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.4 110.851 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 119.34 33.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 63.22 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.56 123.42 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.51 111.099 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -132.31 122.27 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.862 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -129.72 128.52 42.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.848 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.08 143.59 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.897 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' E' ' 8' ' ' SER . 8.3 m -141.49 154.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.53 111.085 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.24 140.43 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -128.75 130.23 46.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.96 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.413 ' C ' HD23 ' M' ' 126' ' ' LEU . 7.5 tt -122.89 125.27 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.881 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.32 125.01 44.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.906 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -128.3 132.31 48.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.853 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . 0.414 HG23 ' HB3' ' E' ' 2' ' ' SER . 6.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.34 . . . . 74.24 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . 0.683 ' HA ' HG23 ' F' ' 29' ' ' THR . 2.0 m -87.82 144.96 26.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 62.52 110.801 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.88 125.0 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.625 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -143.68 135.01 6.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.828 -0.701 . . . . 54.03 112.516 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . 0.598 ' HB ' HD23 ' H' ' 26' ' ' LEU . 11.1 t -130.44 132.78 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 73.02 111.181 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -125.29 120.61 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -126.16 129.18 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.11 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 69.5 p -147.88 146.48 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 63.25 110.804 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -146.12 150.31 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.32 110.886 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.71 127.05 41.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 50.54 110.977 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.72 134.59 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 74.35 110.827 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.791 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -140.91 141.98 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.33 110.914 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.71 133.2 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 129.22 37.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 73.32 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -137.29 118.04 14.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.874 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -131.12 126.09 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -124.63 129.13 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 64.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 120.68 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 70.41 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . 0.598 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -124.03 123.75 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 51.12 111.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -130.04 122.34 28.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -131.26 129.5 41.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.897 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.46 141.11 29.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 70.1 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' H' ' 8' ' ' SER . 13.6 m -141.74 153.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.083 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 138.52 42.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 64.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -128.49 127.76 43.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 62.02 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.42 HD23 ' C ' ' N' ' 126' ' ' LEU . 7.5 tt -124.64 124.13 41.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.7 129.09 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.84 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.73 130.76 50.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.42 110.869 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.12 111.181 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 65.4 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 50.0 m -78.04 177.88 7.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.813 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -124.44 129.03 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.35 110.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.583 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -142.31 139.36 9.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 62.3 112.474 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.647 ' HB ' HD23 ' G' ' 26' ' ' LEU . 5.3 t -125.14 124.29 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 74.43 111.157 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -119.15 132.15 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.41 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.46 138.54 38.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 75.32 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.47 142.76 23.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.822 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.99 133.52 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.835 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 129.82 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.962 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.16 135.81 43.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 65.31 110.882 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . 0.523 ' CE ' HD12 ' O' ' 114' ' ' LEU . 1.4 tttp -140.32 143.06 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.4 110.872 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -135.29 127.05 29.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.33 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -128.28 126.5 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 43.51 110.901 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.18 129.55 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -139.51 134.12 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.842 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 140.23 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.84 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -127.49 119.68 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 70.12 110.888 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -119.4 123.53 44.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 74.35 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.35 131.83 46.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.03 118.18 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -144.58 139.36 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.831 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' G' ' 8' ' ' SER . 3.9 m -144.69 151.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 75.42 111.174 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -127.25 139.39 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.873 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -133.53 128.11 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.452 ' C ' HD23 ' O' ' 126' ' ' LEU . 8.3 tt -122.53 128.4 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.892 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.82 124.98 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.9 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.12 128.29 44.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 64.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.15 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 36.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 73.35 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -76.02 177.43 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.1 110.852 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -126.04 127.22 45.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.914 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.73 138.63 8.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 44.14 112.577 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . 0.414 ' O ' HG23 ' P' ' 105' ' ' THR . 9.5 t -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.22 111.11 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.02 133.35 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.45 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.8 138.56 37.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 72.04 111.072 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 142.2 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 44.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -142.92 132.49 23.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.881 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -118.01 129.44 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.88 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.83 134.85 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 54.11 110.801 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . 0.488 ' CE ' HD12 ' P' ' 114' ' ' LEU . 1.5 tttp -139.6 142.7 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 73.41 110.905 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -135.49 126.77 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.54 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -127.14 127.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.99 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.99 128.15 35.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -136.81 135.2 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.868 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.77 137.71 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.21 110.89 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -126.62 120.32 29.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.85 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.18 123.19 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.42 111.119 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -126.17 132.74 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -137.81 116.88 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 53.31 110.848 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -141.16 140.11 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 53.21 110.917 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 8.0 m -145.21 149.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 54.55 111.156 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -128.21 138.18 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -132.21 128.7 38.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.53 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.458 HD23 ' C ' ' P' ' 126' ' ' LEU . 8.6 tt -122.59 128.37 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.953 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.41 127.43 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.85 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.07 128.21 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 71.54 111.153 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' B' ' 5' ' ' THR . 1.3 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.781 0.324 . . . . 65.12 111.141 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.91 125.41 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.02 110.922 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.443 HG22 ' OE1' ' I' ' 124' ' ' GLN . 12.4 t -137.47 147.91 45.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.125 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' I' ' 123' ' ' VAL . 27.6 t -134.58 135.29 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 54.54 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.18 126.83 30.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.944 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -136.46 136.24 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.927 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 138.12 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 65.33 110.836 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.58 136.83 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.4 110.858 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -137.74 137.58 38.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' I' ' 117' ' ' ARG . 0.8 OUTLIER -129.85 129.67 44.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.913 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -133.07 123.08 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.53 110.789 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -134.63 120.31 19.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HD3' HD11 ' J' ' 114' ' ' LEU . 0.4 OUTLIER -128.44 130.73 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.35 110.94 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.11 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.17 139.14 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 35.14 111.134 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.7 125.46 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.889 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.42 132.42 39.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.1 143.09 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.66 137.91 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.152 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' HG22 ' I' ' 107' ' ' THR . 7.6 tm0? -139.67 144.68 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.956 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -137.26 131.68 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.51 110.943 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.821 HD13 HG23 ' I' ' 105' ' ' THR . 38.4 tp -125.08 136.5 53.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 63.02 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -134.36 134.87 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 71.21 110.888 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -152.2 176.89 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 74.24 111.069 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.753 0.311 . . . . 62.35 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -157.31 160.35 38.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.23 110.846 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -161.76 130.12 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 128.67 6.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 64.32 112.518 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 5' ' ' THR . 1.5 p -126.38 115.85 20.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 54.21 111.102 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' J' ' 125' ' ' TRP . 0.1 OUTLIER -136.52 132.53 35.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -132.56 151.72 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 60.42 111.125 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -131.81 135.88 47.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.08 126.78 30.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 64.32 110.899 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -135.39 137.25 42.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.948 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 140.2 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.848 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -140.07 140.08 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.934 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.851 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.23 128.56 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 73.44 110.927 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -134.06 123.02 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.922 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -134.13 119.91 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 51.11 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.31 125.76 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 72.33 110.904 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.876 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.67 139.08 50.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.15 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -134.87 123.83 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.966 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.75 133.41 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.802 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' J' ' 109' ' ' ASP . 0.1 OUTLIER -134.76 141.46 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.851 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 140.68 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 55.24 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -138.9 145.64 40.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -137.03 130.96 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -125.39 136.64 53.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -136.92 132.57 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.862 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -152.71 177.05 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.1 111.183 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.786 0.327 . . . . 72.21 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 159.33 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 51.54 110.859 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -157.48 130.77 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 63.01 110.935 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 137.99 10.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 55.02 112.478 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.93 113.89 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 71.15 111.22 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -126.56 123.55 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -136.6 146.49 46.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.071 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.53 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.0 t -136.22 135.18 38.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 64.24 110.814 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -133.92 124.74 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.842 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -126.66 130.18 49.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.942 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.21 135.45 48.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.9 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -146.15 123.96 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.909 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.54 126.75 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 42.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.828 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -115.4 113.76 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 64.04 110.928 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -117.91 121.72 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.3 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -133.33 141.26 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.912 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.557 ' NH1' HD13 ' K' ' 114' ' ' LEU . 8.1 ptm180 -142.63 136.9 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.882 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 138.8 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' K' ' 112' ' ' LYS . . . -130.64 141.89 50.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.15 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.89 123.65 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.909 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.77 138.15 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.896 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.66 128.79 39.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.884 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -141.07 119.61 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 61.25 111.096 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . 0.727 ' HG3' HG22 ' K' ' 107' ' ' THR . 0.4 OUTLIER -152.59 137.28 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.919 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 1.5 p-90 -140.42 144.09 35.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 74.24 110.987 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' K' ' 105' ' ' THR . 3.0 tm? -122.87 132.02 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.922 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . 0.471 ' H ' HD22 ' C' ' 26' ' ' LEU . 0.9 OUTLIER -126.03 133.01 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.873 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -164.4 135.99 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.11 111.081 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 75.44 110.798 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.4 159.0 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.826 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -156.04 129.75 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.13 137.09 9.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 45.23 112.389 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -133.37 113.96 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 72.45 111.117 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -127.43 128.21 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 64.24 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -130.31 143.52 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 61.32 111.095 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.535 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.0 t -134.06 134.86 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.827 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -139.77 121.56 15.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.82 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -125.96 127.15 45.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 70.4 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 134.24 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 64.4 110.895 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -145.9 127.06 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.84 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.95 122.55 30.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.907 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.18 114.47 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -116.34 122.39 44.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.807 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 92.3 p -131.46 141.19 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.878 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.785 ' HD3' HD11 ' I' ' 114' ' ' LEU . 7.7 ptm180 -142.6 135.44 28.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 138.35 51.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -131.0 139.89 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.159 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.28 125.21 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 51.44 110.916 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -120.66 138.91 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.901 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -129.16 127.32 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -143.37 123.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 64.24 111.133 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . 0.454 ' CG ' HG22 ' J' ' 107' ' ' THR . 0.5 OUTLIER -152.05 132.89 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.929 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 1.5 p-90 -139.26 141.0 37.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 70.32 110.868 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.587 HD22 ' O ' ' J' ' 104' ' ' GLY . 3.3 tm? -124.18 130.84 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -126.47 129.98 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.834 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -164.95 134.84 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 65.05 111.119 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.72 0.295 . . . . 64.51 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.14 154.79 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 45.2 110.883 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -154.41 130.22 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.55 128.38 6.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 60.05 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -121.04 127.58 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 63.45 111.167 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.26 112.09 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.926 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 142.61 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 72.03 111.119 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.613 ' HA ' HG12 ' M' ' 123' ' ' VAL . 6.8 t -138.17 135.34 35.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.876 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 121.41 18.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.847 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -133.33 125.91 30.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.951 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -136.79 125.53 23.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' E' ' 14' ' ' LEU . 8.3 ptmt -128.54 123.72 34.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.898 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . 0.817 ' C ' HD13 ' E' ' 14' ' ' LEU . 10.9 t80 -117.11 136.83 52.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 75.05 110.921 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.817 HD13 ' C ' ' E' ' 13' ' ' TYR . 0.0 OUTLIER -119.58 141.2 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 75.22 110.867 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.85 126.72 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.23 110.865 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 61.1 m -136.97 119.26 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.893 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 141.9 50.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.897 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.64 142.98 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 75.25 110.841 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.83 22.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.89 127.27 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.31 121.2 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 54.35 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.84 116.98 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -126.72 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 71.53 111.18 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -150.23 152.73 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . 0.461 ' CH2' ' HE1' ' E' ' 27' ' ' MET . 3.8 t90 -150.49 130.27 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.2 tm? -122.52 133.69 54.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.25 110.924 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.465 ' H ' HD22 ' E' ' 26' ' ' LEU . 4.4 ptp -127.49 134.06 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -163.53 132.88 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.872 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.179 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 73.14 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.85 153.6 34.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 73.42 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -153.02 129.43 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 72.31 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.35 129.65 5.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.45 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -124.52 124.63 42.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 65.14 111.088 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.68 115.8 14.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.83 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 143.94 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.147 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.446 ' HA ' HG12 ' L' ' 123' ' ' VAL . 6.6 t -135.64 136.33 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 62.22 110.821 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.79 15.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.896 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.7 128.61 39.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.91 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -133.54 126.69 31.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 64.23 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.729 ' HE2' HD21 ' F' ' 14' ' ' LEU . 8.3 ptmt -126.25 124.39 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 54.24 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . 0.776 ' C ' HD13 ' F' ' 14' ' ' LEU . 19.6 t80 -118.33 127.84 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 60.22 111.008 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.776 HD13 ' C ' ' F' ' 13' ' ' TYR . 0.0 OUTLIER -121.32 135.74 55.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.924 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.39 123.94 18.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.834 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 60.3 m -134.81 120.3 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 62.21 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . 0.605 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -127.8 140.45 52.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.861 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -142.12 142.35 32.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 72.23 110.851 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . 0.528 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -138.61 127.44 23.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.43 111.127 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.9 130.46 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.946 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -131.16 123.47 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 50.02 110.893 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.06 117.52 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.98 138.33 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.15 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -150.45 152.33 34.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . 0.438 ' CH2' ' HE1' ' F' ' 27' ' ' MET . 3.0 t90 -158.21 129.57 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.63 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.2 tm? -124.06 133.19 53.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 50.02 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . 0.458 ' H ' HD22 ' F' ' 26' ' ' LEU . 4.0 ptp -124.99 133.09 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.852 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -164.64 132.31 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.855 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.13 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.808 0.337 . . . . 73.11 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.95 160.8 37.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.932 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . 0.715 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -162.37 162.6 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.885 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 128.02 2.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.726 -0.749 . . . . 64.21 112.48 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . 0.608 HG21 ' CD1' ' P' ' 126' ' ' LEU . 5.0 p -121.1 134.7 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 41.32 111.106 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -140.16 112.28 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.841 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.62 141.66 51.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 70.32 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.623 ' HA ' HG12 ' O' ' 123' ' ' VAL . 6.7 t -137.55 135.0 36.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.869 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -135.64 129.73 33.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -138.77 121.43 16.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.83 131.73 53.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.835 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.0 135.41 48.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 71.43 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . 0.594 ' C ' HD12 ' G' ' 14' ' ' LEU . 9.1 t80 -135.7 129.84 33.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 73.31 110.93 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.594 HD12 ' C ' ' G' ' 13' ' ' TYR . 10.9 mp -126.88 124.13 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 72.3 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.73 123.62 40.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.854 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -137.98 123.96 20.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 145.66 47.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.03 110.835 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.7 146.08 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.835 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.98 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -142.87 134.37 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.52 112.7 7.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -109.38 136.08 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.865 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -141.21 133.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 72.15 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . 0.422 ' NE2' HG23 ' O' ' 107' ' ' THR . 5.5 tp-100 -139.19 121.32 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 52.22 110.862 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -118.41 132.04 56.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.612 ' HG ' HG23 ' O' ' 105' ' ' THR . 0.5 OUTLIER -126.71 132.17 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.922 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -128.62 133.77 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 55.31 110.878 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.35 146.55 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.122 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 71.04 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 161.23 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.835 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.23 160.16 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 132.41 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 64.03 112.466 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 74.12 111.115 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -140.09 114.96 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 63.22 110.902 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 140.62 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.12 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -133.82 135.33 43.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.94 127.1 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.05 110.854 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -137.71 120.52 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 72.52 110.937 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.77 131.35 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 31.35 110.865 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.01 136.61 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.2 110.939 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . 0.566 ' C ' HD12 ' H' ' 14' ' ' LEU . 10.3 t80 -134.28 131.15 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.91 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.566 HD12 ' C ' ' H' ' 13' ' ' TYR . 10.7 mp -126.17 122.69 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 62.14 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.2 122.78 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.849 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -136.98 123.02 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 61.14 110.885 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.35 47.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.05 143.78 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.01 110.894 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -136.91 143.55 43.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -140.22 135.01 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 62.42 110.911 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.25 112.05 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.41 136.82 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.29 129.92 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 65.03 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -139.99 116.76 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.864 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -119.06 129.99 55.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.94 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.579 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.5 OUTLIER -128.58 132.1 48.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -129.41 130.05 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 72.23 110.919 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.85 144.66 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 64.13 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.579 HG21 ' CD2' ' N' ' 101' ' ' HIS . 14.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 65.22 111.125 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 64.45 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.09 151.14 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.798 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 127.57 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.33 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.83 138.36 10.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 53.32 112.477 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.821 HG23 HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -134.54 120.09 19.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.32 111.146 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -118.52 127.58 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 24' ' ' GLN . 22.2 p -128.89 116.09 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.19 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 25.0 p -122.3 128.81 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 72.24 110.893 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -128.62 127.62 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 51.21 110.831 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -129.71 130.61 45.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.886 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -136.82 141.68 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 74.22 110.816 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 135.49 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 63.41 110.907 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -129.88 121.51 26.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 42.1 110.908 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -121.29 127.18 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.855 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.56 115.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 65.01 110.822 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.87 141.28 46.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . 0.616 ' HD2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -147.16 150.88 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 74.12 110.819 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.79 144.9 46.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.04 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.16 123.68 13.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 65.44 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -130.81 132.42 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.12 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -136.41 123.71 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.22 110.822 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -142.22 142.74 32.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -141.74 154.96 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 74.5 111.158 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . 0.443 ' OE1' HG22 ' A' ' 7' ' ' THR . 1.9 tm0? -128.62 134.75 48.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.05 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -135.79 118.4 15.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' J' ' 126' ' ' LEU . 9.7 tt -128.72 131.54 47.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.981 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 124.42 35.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 70.44 110.901 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.16 132.16 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 64.44 111.152 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.22 151.39 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 53.43 110.823 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.7 125.59 54.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . 0.587 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -135.84 135.84 8.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 74.24 112.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . 0.522 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.2 OUTLIER -133.06 119.3 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 64.31 111.142 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' D' ' 25' ' ' TRP . 10.3 t80 -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 63.25 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . 0.454 HG22 ' CG ' ' D' ' 24' ' ' GLN . 21.5 p -126.91 116.5 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.158 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 25.1 p -122.97 123.57 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 70.42 110.841 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 22.8 m-20 -130.57 129.26 42.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.923 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -130.4 127.73 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.968 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -136.06 145.32 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.82 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.84 137.1 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.934 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.05 121.97 34.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -123.64 128.68 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 53.1 110.955 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -135.19 117.66 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.812 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.85 140.02 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 53.15 110.799 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.12 148.93 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.886 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.36 147.61 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.883 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HD2' ' B' ' 12' ' ' LYS . . . -141.83 127.36 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.03 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -129.3 131.35 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.45 110.928 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -137.77 126.69 24.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -140.63 140.74 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.21 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.4 m -142.5 151.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 64.23 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -130.33 139.41 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . 0.406 ' HB2' ' CD2' ' B' ' 6' ' ' PHE . 31.6 m95 -129.27 120.52 25.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 70.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' I' ' 126' ' ' LEU . 9.1 tt -128.24 128.67 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.866 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.37 126.49 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.893 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.55 130.73 53.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 42.1 110.835 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.14 111.189 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 74.54 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -114.35 143.68 44.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.15 110.822 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -110.41 129.59 55.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.933 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.58 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -137.28 138.44 9.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 73.3 112.55 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.68 ' HB ' HD23 ' C' ' 26' ' ' LEU . 11.6 t -128.03 134.22 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.2 111.071 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . 0.448 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 19.6 t80 -125.49 121.45 33.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.915 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . 0.727 HG22 ' HG3' ' C' ' 24' ' ' GLN . 6.5 p -129.27 122.73 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.163 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -143.03 145.14 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 61.42 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -147.75 151.34 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 54.13 110.9 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -136.58 142.71 43.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.935 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -135.62 139.94 44.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 63.01 110.827 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -135.61 137.13 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.08 115.0 11.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.605 HD11 ' NE ' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.22 129.49 55.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.9 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.81 120.19 19.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 63.53 110.826 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.12 126.57 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.84 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.828 ' HD2' HD23 ' C' ' 14' ' ' LEU . 13.6 mtp180 -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.886 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.05 125.62 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.12 123.09 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.056 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -139.77 121.29 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -130.66 125.72 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -139.04 140.62 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 73.35 110.938 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' C' ' 8' ' ' SER . 2.9 m -143.87 152.37 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 44.51 111.132 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.22 145.02 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 65.13 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -143.7 114.95 7.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.4 137.65 54.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 62.43 110.92 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.62 124.21 27.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.892 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.74 129.4 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.913 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.126 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.804 0.335 . . . . 71.5 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 144.5 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 64.04 110.833 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -109.34 125.5 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 63.44 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.593 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -141.83 135.17 6.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.49 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.63 ' HB ' HD23 ' F' ' 26' ' ' LEU . 7.3 t -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 75.32 111.189 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -126.78 122.48 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -125.45 124.64 41.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.146 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.77 139.59 31.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 62.25 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -151.85 152.72 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 73.15 110.912 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -135.26 140.44 45.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.96 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -136.07 138.06 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 52.33 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.546 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.07 139.45 39.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 51.22 110.904 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -135.8 116.38 13.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.968 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' K' ' 114' ' ' LEU . 0.0 OUTLIER -116.13 130.26 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.886 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -137.05 120.54 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.873 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.71 127.91 39.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.858 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.481 ' HG2' HD12 ' F' ' 14' ' ' LEU . 13.8 mtp180 -125.95 124.44 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.14 128.94 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 63.23 110.884 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.8 123.53 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.43 111.112 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -136.25 122.32 20.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.98 124.79 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.806 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -138.07 141.43 40.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' F' ' 8' ' ' SER . 4.6 m -142.25 153.39 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.141 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 148.54 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.902 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -142.0 116.46 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 138.68 54.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 71.45 110.944 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.52 125.79 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.892 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -121.68 127.37 50.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 54.11 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 72.11 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 56.8 p -110.04 171.12 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 73.23 110.906 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -114.21 129.31 56.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.935 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.554 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -136.17 138.61 10.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.49 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.645 ' HB ' HD23 ' E' ' 26' ' ' LEU . 5.3 t -125.55 125.6 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 71.24 111.233 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -121.48 121.8 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.868 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.88 131.83 53.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 71.44 111.17 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.62 124.67 20.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.871 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.24 125.7 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.905 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -123.38 127.92 49.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.902 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.58 134.24 45.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.91 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 139.7 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.4 123.41 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.903 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -123.69 125.33 44.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.926 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.26 117.38 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.884 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.62 145.39 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.867 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . 0.718 ' NE ' HD12 ' E' ' 14' ' ' LEU . 7.4 mtp180 -144.11 143.4 31.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.839 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -140.32 131.1 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.912 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.72 123.05 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.51 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.94 122.42 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -130.57 120.61 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.13 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -140.58 142.34 35.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.912 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.1 m -141.16 153.05 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 72.53 111.159 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.13 128.91 44.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.924 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -129.38 128.59 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' N' ' 126' ' ' LEU . 3.6 tt -134.56 135.49 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.67 124.67 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -124.23 134.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 62.13 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.25 111.11 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . 0.579 ' CD2' HG21 ' H' ' 29' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 74.24 110.837 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 56.7 p -109.52 171.13 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 62.52 110.9 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . 0.506 ' OE1' HD21 ' H' ' 26' ' ' LEU . 1.1 tm0? -114.28 125.8 54.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 70.22 110.942 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.579 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -138.79 137.0 8.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 54.03 112.518 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -127.42 126.18 41.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.02 111.152 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -119.25 121.59 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 74.33 110.853 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.59 131.58 55.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 74.34 111.131 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.31 123.95 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.45 127.19 34.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -122.2 127.57 50.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 50.54 110.924 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.2 136.19 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.905 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.528 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -134.15 142.57 47.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 63.33 110.934 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -137.89 123.18 19.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.94 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -124.24 124.53 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.32 110.919 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.95 118.93 21.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.838 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.68 141.41 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.91 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' F' ' 14' ' ' LEU . 8.3 mtp180 -143.82 147.22 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 64.21 110.856 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -149.02 131.72 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.857 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . 0.698 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -131.82 123.66 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 51.12 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -124.77 122.04 36.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.895 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 72.41 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -139.65 141.49 37.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 70.1 110.864 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.68 149.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.12 111.175 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -130.5 130.37 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 64.35 110.899 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -125.47 129.93 50.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 62.02 110.916 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' M' ' 126' ' ' LEU . 2.7 tt -134.43 132.96 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.89 127.74 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.84 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -123.68 132.41 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.1 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.332 . . . . 65.4 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m -102.59 179.42 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -117.88 145.09 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 62.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.408 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -148.94 149.82 21.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 62.3 112.504 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.612 HG23 ' HG ' ' G' ' 26' ' ' LEU . 3.8 m -138.36 125.41 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.43 111.181 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -120.92 119.38 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . 0.422 HG23 ' NE2' ' G' ' 24' ' ' GLN . 0.3 OUTLIER -117.44 129.73 56.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.078 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.33 130.06 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.11 110.864 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -133.48 114.86 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.21 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.66 134.2 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.44 111.014 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.53 134.63 30.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.835 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 132.54 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 71.4 110.871 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.2 117.47 20.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.962 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -121.77 122.06 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 43.51 110.92 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.1 113.85 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.813 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.56 132.94 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.858 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.422 HH21 HD11 ' G' ' 14' ' ' LEU . 8.1 ptm180 -143.46 153.27 42.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.878 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 145.77 27.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.883 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.49 127.73 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.35 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -123.69 121.98 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.51 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -128.05 123.4 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.73 143.35 32.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.31 110.887 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.7 m -141.1 151.6 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.113 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 137.73 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -136.22 127.72 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.707 HD13 HD13 ' P' ' 126' ' ' LEU . 9.5 tt -130.5 133.9 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.907 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.419 ' N ' HD23 ' O' ' 126' ' ' LEU . 0.7 OUTLIER -128.21 127.72 43.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.899 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -128.2 134.22 49.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 64.51 110.88 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.073 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 73.35 110.796 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 10.8 m -102.44 179.5 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.1 110.852 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -118.78 144.29 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.81 149.37 21.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 44.14 112.472 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 3.9 m -137.2 126.75 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 64.22 111.12 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.25 119.23 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.871 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 129.79 55.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 72.04 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.18 131.29 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 44.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.32 116.2 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 71.54 110.84 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.25 134.09 52.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.897 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.79 134.56 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 54.11 110.92 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . 0.563 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -132.15 132.98 43.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.921 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -129.59 117.69 20.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 64.54 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -120.42 123.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.877 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -135.85 112.95 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.92 135.35 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.01 110.833 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.27 154.51 43.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 71.21 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.08 146.32 27.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.11 126.84 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.42 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.97 122.78 38.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -131.68 121.98 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 53.31 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -142.3 143.34 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 53.21 110.807 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.24 149.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 54.55 111.107 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 136.43 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -135.07 128.94 33.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.954 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.715 HD11 HE22 ' G' ' 3' ' ' GLN . 9.9 tt -130.94 134.27 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.36 130.95 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.861 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.59 133.41 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.32 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 71.54 111.214 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.787 0.327 . . . . 65.12 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.44 112.23 16.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 m -125.53 147.14 49.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.159 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.66 ' HA ' HG12 ' I' ' 123' ' ' VAL . 58.4 m -146.77 134.64 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 54.54 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.61 133.61 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -143.75 125.47 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.925 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.04 143.85 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 65.33 110.834 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -147.1 145.3 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 75.4 110.821 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -140.91 134.34 29.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.26 125.39 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.25 110.948 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -127.28 122.82 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.848 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.65 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.926 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.636 ' NH1' HD11 ' J' ' 114' ' ' LEU . 1.0 OUTLIER -124.84 131.95 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.35 110.886 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -128.31 128.65 45.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.77 137.49 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 35.14 111.098 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.59 124.1 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -119.08 124.47 46.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.58 123.56 39.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.02 110.914 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -138.63 123.04 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.9 OUTLIER -129.03 148.17 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.894 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -147.63 135.41 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -131.57 145.01 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.02 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.466 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 1.7 ptp -133.07 144.08 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.908 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -152.65 157.29 40.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.675 HG23 ' HA ' ' I' ' 101' ' ' HIS . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.134 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 62.35 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -131.32 152.87 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.23 110.895 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -165.7 165.43 18.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.24 133.95 3.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 64.32 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.792 HG22 ' HG ' ' J' ' 126' ' ' LEU . 9.2 p -123.82 119.48 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 54.21 111.058 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -127.22 117.55 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.407 HG23 ' HB2' ' J' ' 124' ' ' GLN . 13.3 m -119.01 149.06 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 60.42 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -141.47 135.55 30.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.72 133.5 36.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 64.32 110.764 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -142.87 127.89 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.829 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.7 144.47 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 74.52 110.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.453 ' HE3' HD11 ' B' ' 14' ' ' LEU . 35.5 ttpt -144.88 148.5 33.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.911 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -137.72 133.86 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.911 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.453 HD11 ' HE3' ' B' ' 12' ' ' LYS . 2.8 mp -124.91 122.78 38.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 73.44 110.899 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.07 124.06 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.89 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.54 119.8 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 51.11 110.926 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.04 129.14 51.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 72.33 110.857 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -131.26 129.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' J' ' 112' ' ' LYS . . . -126.73 135.79 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 72.15 111.092 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -133.32 124.71 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.23 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.06 126.46 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.834 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.68 124.01 41.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.46 122.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 55.24 111.092 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.15 148.65 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 71.33 110.885 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -146.61 134.21 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.938 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.17 144.83 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptp -132.75 143.21 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.84 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -152.15 157.88 42.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 61.1 111.12 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.774 0.321 . . . . 72.21 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.59 149.89 52.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 51.54 110.825 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . 0.532 ' NE2' HD21 ' I' ' 126' ' ' LEU . 4.3 tp60 -164.43 135.84 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.01 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.71 128.32 5.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 55.02 112.47 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -125.93 117.92 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 71.15 111.134 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -125.08 119.9 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . 0.641 HG21 HE22 ' L' ' 124' ' ' GLN . 1.3 t -129.22 147.11 51.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 70.32 111.154 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -139.87 135.04 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.809 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -135.72 128.34 30.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 72.12 110.872 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -136.69 122.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.976 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.74 133.17 45.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.865 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . 0.404 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.2 OUTLIER -140.27 140.44 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.895 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -134.58 137.49 43.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 42.21 110.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.411 HD12 ' N ' ' C' ' 14' ' ' LEU . 4.7 mp -127.96 121.48 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.04 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -126.86 123.17 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.3 110.809 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -134.72 121.3 20.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.482 ' HD3' HD11 ' L' ' 114' ' ' LEU . 7.0 ptm180 -126.29 134.59 51.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -129.26 135.95 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.885 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.12 131.4 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 111.096 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.87 125.39 29.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.21 110.911 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.47 128.02 43.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -124.0 124.36 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.49 119.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 61.25 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.51 121.96 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -117.72 129.73 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.3 OUTLIER -132.5 136.8 46.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.903 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.73 132.44 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.853 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -160.45 145.71 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 65.11 111.168 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.813 0.34 . . . . 75.44 110.865 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.33 149.23 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.859 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.19 130.49 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.889 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.77 129.82 5.44 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 45.23 112.45 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -122.57 117.1 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 72.45 111.174 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.71 119.46 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -123.7 146.51 48.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.084 -0.507 . . . . 61.32 111.111 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' HG12 ' J' ' 123' ' ' VAL . 5.0 t -137.72 135.12 36.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.832 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.41 127.42 25.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 75.34 110.867 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -135.75 122.07 20.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.957 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 133.84 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.4 110.853 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' L' ' 119' ' ' ALA . 0.2 OUTLIER -138.6 141.05 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 74.24 110.897 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.5 137.04 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.638 HD13 HH11 ' L' ' 117' ' ' ARG . 4.8 mp -129.19 121.48 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.928 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -125.86 124.29 40.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.869 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -134.13 119.62 19.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.865 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -125.65 134.0 52.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 72.21 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -130.79 136.14 48.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.24 131.55 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.159 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.55 126.96 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 51.44 110.843 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.91 130.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.901 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.26 124.41 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.832 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -136.66 117.71 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 64.24 111.138 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.33 117.04 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 72.4 110.915 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -118.71 131.34 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.32 110.969 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' J' ' 105' ' ' THR . 0.3 OUTLIER -133.16 139.24 46.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 129.71 25.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.912 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -164.2 144.93 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 65.05 111.173 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.75 0.31 . . . . 64.51 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -144.44 153.01 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 45.2 110.876 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -168.81 133.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 126.1 6.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 60.05 112.467 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . 0.533 HG22 HD12 ' K' ' 126' ' ' LEU . 6.5 p -129.86 122.67 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 63.45 111.185 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.72 113.38 17.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.852 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . 0.439 HG23 ' HB2' ' K' ' 124' ' ' GLN . 0.2 OUTLIER -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 72.03 111.085 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.647 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -133.15 134.6 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 72.42 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.58 122.27 23.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.87 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -125.39 122.62 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.34 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.69 131.7 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 75.3 110.881 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' E' ' 14' ' ' LEU . 1.3 ttpm? -145.19 121.23 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.17 124.61 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 75.05 110.929 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.739 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.6 OUTLIER -113.99 112.91 24.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.22 110.876 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -119.3 122.21 41.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.909 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -136.43 139.51 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 74.13 110.841 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -141.16 137.42 32.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.519 . . . . 74.13 110.806 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -129.5 125.81 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.63 135.79 53.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.089 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.45 124.2 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.22 122.26 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 54.35 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -113.65 132.17 55.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.921 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.39 122.02 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.53 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' M' ' 107' ' ' THR . 0.6 OUTLIER -152.08 135.97 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 74.03 110.908 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.7 p-90 -136.86 141.46 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 70.32 110.88 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.773 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.6 tm? -120.75 129.45 53.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.547 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.6 ptp -122.48 134.02 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.839 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.23 140.03 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.34 110.968 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.18 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 73.14 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -143.64 154.72 43.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -162.85 130.3 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 72.31 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' L' ' 127' ' ' MET . . . -126.66 129.69 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 63.31 112.456 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . 0.984 HG22 HD23 ' N' ' 126' ' ' LEU . 7.8 p -123.13 119.32 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 65.14 111.119 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -127.85 115.07 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . 0.486 HG23 ' HB2' ' N' ' 124' ' ' GLN . 0.2 OUTLIER -116.97 139.43 50.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.13 111.121 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.8 t -131.9 134.63 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 62.22 110.868 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.85 120.02 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 64.31 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -124.22 120.11 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.899 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.16 131.56 53.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 64.23 110.808 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.674 ' HE3' HD11 ' F' ' 14' ' ' LEU . 1.4 ttpm? -144.94 122.95 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 54.24 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 122.38 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 60.22 110.929 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' F' ' 12' ' ' LYS . 0.8 OUTLIER -112.07 112.96 24.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.96 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -117.76 122.07 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.9 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -135.14 139.6 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 62.21 110.857 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . 0.679 ' HD3' HD11 ' K' ' 114' ' ' LEU . 6.2 ptm180 -140.95 133.96 29.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.857 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -129.93 125.85 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.77 135.04 54.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 54.43 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.56 124.87 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.855 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.1 123.95 29.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 50.02 110.823 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -113.07 132.01 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.888 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.7 t -142.62 123.25 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.156 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.32 132.0 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.23 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -136.31 138.88 42.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.14 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.665 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.1 tm? -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 50.02 110.946 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -121.55 130.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.834 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.85 139.66 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.14 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.756 0.312 . . . . 73.11 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -145.81 158.16 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.882 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -167.18 169.3 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.926 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . 0.438 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -157.28 128.08 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.765 . . . . 64.21 112.46 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -124.72 121.24 34.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 41.32 111.126 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -125.8 116.05 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.845 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.33 141.89 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 70.32 111.114 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' O' ' 123' ' ' VAL . 11.3 t -136.12 135.14 39.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.897 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.39 129.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -132.83 129.5 38.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.954 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.14 131.53 48.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.799 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . 0.67 ' CE ' HD11 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -141.17 122.08 14.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.873 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.04 127.71 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.99 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 12' ' ' LYS . 0.9 OUTLIER -114.54 112.6 23.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.898 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -118.19 121.91 41.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.37 137.28 37.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 65.11 110.915 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . 0.518 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.7 ptm180 -140.35 136.9 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.03 110.853 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 134.27 47.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.846 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.79 135.24 51.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.22 111.048 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -139.97 131.87 27.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.03 110.892 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.89 134.96 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.927 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 28.6 t -145.77 117.42 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 72.15 111.09 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . 0.671 ' HB2' HG23 ' O' ' 107' ' ' THR . 0.0 OUTLIER -149.44 135.34 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.933 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . 0.486 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 10.0 p-90 -137.9 138.48 39.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 71.51 110.92 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.829 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.0 tm? -122.98 125.42 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.875 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.598 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -126.0 132.56 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 55.31 110.874 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.78 148.82 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.834 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . 0.63 HG21 ' CD2' ' O' ' 101' ' ' HIS . 2.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.01 111.149 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.748 0.309 . . . . 71.04 110.784 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -145.63 159.15 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.783 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.15 165.7 19.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.3 130.36 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 64.03 112.425 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -119.47 119.78 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.12 111.175 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -127.0 117.64 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.863 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -124.26 141.48 52.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.089 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.487 ' HA ' HG12 ' N' ' 123' ' ' VAL . 11.2 t -132.87 135.22 45.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.828 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.01 126.52 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 74.05 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -132.41 126.77 33.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.52 110.829 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.49 130.66 49.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 31.35 110.841 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . 0.737 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -142.42 123.96 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.927 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.69 HD11 ' NZ ' ' H' ' 12' ' ' LYS . 1.7 mp -114.38 113.57 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 62.14 110.903 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -118.23 122.88 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.6 136.85 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 61.14 110.875 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -141.05 136.96 32.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 71.15 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.01 44.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 63.01 110.886 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . 0.591 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -125.95 135.43 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.23 111.136 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -140.0 133.03 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 62.42 110.899 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -141.02 142.56 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -129.53 136.94 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.898 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . 0.431 HG13 ' OG ' ' P' ' 108' ' ' SER . 26.2 t -145.6 118.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 65.03 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . 0.485 ' HB2' HG23 ' N' ' 107' ' ' THR . 0.0 OUTLIER -150.07 127.94 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.939 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -139.05 136.93 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.52 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.767 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.4 tm? -125.19 123.93 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.945 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 130.29 52.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.842 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.02 149.27 7.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 64.13 110.9 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.489 HG23 ' CA ' ' P' ' 102' ' ' SER . 2.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 65.22 111.196 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . 0.675 ' HA ' HG23 ' A' ' 29' ' ' THR . 8.2 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.738 0.304 . . . . 64.45 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 26.3 p -147.88 163.79 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 72.01 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -107.34 127.08 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 63.33 110.914 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . 0.466 ' HA3' ' HE3' ' A' ' 27' ' ' MET . . . -134.49 139.08 10.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.5 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.8 118.73 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 73.32 111.11 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -119.95 125.2 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -124.02 120.48 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.239 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.4 127.39 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.82 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.38 137.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 51.21 110.818 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -135.48 127.7 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.934 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -120.69 134.37 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.842 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -130.67 129.28 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 63.41 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -132.53 116.11 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 42.1 110.961 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -118.75 126.09 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.915 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -135.03 109.86 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 65.01 110.892 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.66 133.59 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 64.33 110.852 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -138.96 139.76 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.845 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.75 149.26 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 63.04 110.849 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.0 123.47 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.44 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.73 128.7 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 64.12 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.08 131.18 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 63.22 110.85 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -146.19 143.63 29.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.889 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 8' ' ' SER . 14.9 m -139.78 158.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.191 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.85 135.88 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.05 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -135.39 114.09 11.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.914 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.532 HD21 ' NE2' ' C' ' 3' ' ' GLN . 6.5 tt -120.06 131.45 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . 0.482 ' N ' HD23 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -127.23 126.48 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.867 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . 0.45 HD22 ' NE2' ' C' ' 3' ' ' GLN . 3.3 t-20 -127.26 139.4 52.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 65.22 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 64.44 111.21 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.863 0.363 . . . . 75.31 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 26.1 p -148.15 164.06 35.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 53.43 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -106.96 126.13 51.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.51 138.28 9.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 74.24 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . 0.639 HG23 ' CD1' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -131.32 119.2 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 64.31 111.098 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -121.48 123.54 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.25 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.46 118.84 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.188 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.83 124.47 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 70.42 110.894 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.81 141.19 36.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.871 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -134.66 127.59 31.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.986 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -118.15 135.01 54.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 64.41 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.416 ' CD ' ' HB2' ' B' ' 19' ' ' ALA . 20.7 tptp -131.57 129.84 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -129.64 117.14 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.886 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.636 HD11 ' NH1' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -120.57 126.3 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 53.1 110.925 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.34 111.24 10.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.859 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.96 129.83 42.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 53.15 110.861 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -142.12 140.25 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.856 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.92 151.05 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.936 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.75 125.16 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.065 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.9 128.7 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.45 110.92 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.58 134.72 37.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -144.8 141.7 29.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' D' ' 8' ' ' SER . 17.0 m -139.51 156.16 26.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 64.23 111.11 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' B' ' 7' ' ' THR . 16.7 tt0 -138.56 139.97 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 71.2 110.853 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -131.14 115.41 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 70.25 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.792 ' HG ' HG22 ' B' ' 5' ' ' THR . 6.5 tt -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . 0.454 ' N ' HD23 ' J' ' 126' ' ' LEU . 0.3 OUTLIER -127.48 130.22 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.833 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -126.12 137.04 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 42.1 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 74.54 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -154.42 169.76 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.886 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.05 126.84 47.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.21 110.922 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.33 136.56 8.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 73.3 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.524 HG23 ' HG ' ' C' ' 26' ' ' LEU . 13.2 m -131.38 137.91 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 75.2 111.111 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -134.85 110.72 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.884 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 4.8 m -109.5 118.87 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 71.51 111.114 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.83 127.56 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.2 138.17 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 54.13 110.843 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.64 127.79 39.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.868 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -129.31 134.23 47.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 63.01 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . 0.549 ' CE ' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -135.16 133.64 39.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.859 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -132.37 115.58 15.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.679 HD11 ' HD3' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.32 114.58 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.956 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.58 113.39 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.83 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 18.5 p -131.12 129.99 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.15 110.859 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -137.73 137.65 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.11 110.792 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.35 143.4 50.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.95 122.85 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.24 111.109 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.03 125.34 29.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.03 110.872 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -132.81 120.89 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -135.72 141.68 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.861 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.3 m -142.0 156.13 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 44.51 111.134 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' E' ' 7' ' ' THR . 1.7 tt0 -133.1 138.81 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 65.13 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -135.92 110.86 8.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.533 HD12 HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -116.95 128.09 54.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 62.43 110.872 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.33 124.03 40.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.883 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -124.7 139.1 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.836 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 111.145 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.5 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -154.34 169.44 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 64.04 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 126.31 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 63.44 110.877 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.568 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -133.88 135.05 7.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.82 -0.705 . . . . 72.55 112.511 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.665 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.8 m -131.29 132.73 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.32 111.159 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -130.62 109.32 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.53 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 4.6 m -107.84 117.37 33.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.181 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 124.54 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.843 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.29 138.52 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.804 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -130.04 127.6 40.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.858 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -128.71 134.65 48.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.33 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.547 ' CE ' HD12 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -135.1 133.84 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 51.22 110.923 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -130.1 115.25 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.547 HD12 ' CE ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -117.97 114.84 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.45 110.87 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.21 114.26 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 63.41 110.855 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 17.6 p -129.88 130.0 44.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.807 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . 0.638 HH11 HD13 ' D' ' 14' ' ' LEU . 8.6 ptm180 -137.4 135.06 36.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.34 110.815 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.78 145.17 50.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 63.23 110.929 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' HG3' ' D' ' 12' ' ' LYS . . . -139.66 126.18 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 73.43 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.46 126.43 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -133.39 121.6 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -134.51 138.02 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.91 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' F' ' 8' ' ' SER . 7.6 m -142.48 152.75 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.157 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . 0.641 HE22 HG21 ' C' ' 7' ' ' THR . 2.1 tt0 -136.71 141.32 43.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 114.94 13.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.542 ' O ' HD23 ' L' ' 126' ' ' LEU . 0.5 OUTLIER -118.51 127.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.45 110.899 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . 0.414 ' HE3' ' HA2' ' F' ' 4' ' ' GLY . 0.0 OUTLIER -124.66 126.79 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.857 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -121.22 136.92 54.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 54.11 111.181 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.832 0.349 . . . . 72.11 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.26 176.37 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.876 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -119.48 130.65 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.41 110.925 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.54 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.4 138.84 9.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 75.2 112.497 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.773 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.1 t -126.18 130.55 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 71.24 111.128 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . 0.459 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 21.2 t80 -121.45 118.16 28.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.4 110.86 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . 0.605 HG23 ' HB2' ' E' ' 24' ' ' GLN . 2.7 m -125.31 121.87 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.115 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -139.25 142.48 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.895 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.23 131.36 19.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.51 132.33 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.923 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.75 137.46 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.41 110.861 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -136.51 135.27 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 72.4 110.924 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -128.54 121.13 28.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.1 110.916 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -119.83 125.05 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 75.11 110.906 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.15 122.63 30.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.971 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -132.69 129.79 39.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.856 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . 0.739 ' HD2' HD23 ' E' ' 14' ' ' LEU . 3.3 mtp85 -131.11 125.05 32.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.918 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.82 119.83 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.22 110.915 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . 0.564 ' HB3' ' HG3' ' G' ' 12' ' ' LYS . . . -128.12 122.79 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 70.51 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -142.84 121.45 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -128.25 125.92 39.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -139.54 143.98 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.856 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.3 m -140.99 155.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 72.53 111.176 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -129.15 133.27 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.24 109.39 11.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.732 HD22 ' N ' ' M' ' 127' ' ' MET . 0.3 OUTLIER -115.48 114.86 25.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.923 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . 0.732 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.1 OUTLIER -117.11 122.44 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.943 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -122.24 136.79 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 62.13 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.197 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.24 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.59 176.58 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 62.52 110.821 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . 0.693 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.2 tm0? -118.98 129.99 55.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 70.22 110.865 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.434 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.71 137.39 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 54.03 112.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . 0.767 ' HB ' HD23 ' H' ' 26' ' ' LEU . 15.0 t -129.7 130.54 45.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 73.02 111.119 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -122.55 118.16 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . 0.485 HG23 ' HB2' ' H' ' 24' ' ' GLN . 2.7 m -118.95 123.66 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.34 111.13 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -141.11 138.91 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -146.95 132.28 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 72.32 110.83 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -120.16 129.68 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.54 110.868 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.98 137.25 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.35 110.818 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.624 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -137.47 135.74 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.33 110.898 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.48 121.63 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.966 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -119.52 125.67 49.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.925 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.97 119.46 21.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.55 110.875 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 13.1 m -134.41 131.99 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.846 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -131.34 124.16 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 64.21 110.89 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.21 120.55 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.86 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.9 124.66 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 51.12 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -138.0 124.77 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.25 124.46 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -136.27 142.85 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 70.1 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' H' ' 8' ' ' SER . 12.7 m -141.82 152.76 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.117 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' F' ' 7' ' ' THR . 4.9 tt0 -132.26 133.66 44.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 108.91 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 62.02 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.984 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.43 116.78 28.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 62.42 110.929 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . 0.628 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.1 OUTLIER -117.56 128.27 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.52 110.872 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -118.83 134.41 55.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 71.12 111.17 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . 0.63 ' CD2' HG21 ' G' ' 29' ' ' THR . 8.0 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.321 . . . . 65.4 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.3 p -120.7 177.7 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.82 147.23 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.512 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.63 137.23 5.57 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 62.3 112.463 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.829 ' HB ' HD23 ' G' ' 26' ' ' LEU . 15.3 t -129.13 131.37 47.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 74.43 111.206 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . 0.486 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 37.1 t80 -123.46 123.35 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 62.41 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . 0.671 HG23 ' HB2' ' G' ' 24' ' ' GLN . 3.5 m -129.55 121.97 28.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 75.32 111.136 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 142.25 36.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.2 154.28 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -143.14 140.17 30.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.957 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -147.12 139.47 24.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.31 110.875 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 141.82 36.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 71.4 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -134.91 124.24 24.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.415 ' CD2' HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -124.35 126.74 46.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 43.51 110.884 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.07 126.66 32.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.902 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 126.29 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.828 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . 0.419 ' HD2' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.26 126.12 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 75.43 110.896 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' G' ' 12' ' ' LYS . 5.5 mtt180 -112.12 119.47 38.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.963 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.78 122.29 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.115 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.91 121.0 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.984 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -128.0 125.12 38.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.44 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.96 141.87 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' G' ' 8' ' ' SER . 4.3 m -141.29 152.11 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.163 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 136.57 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.879 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -134.23 113.81 12.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' P' ' 126' ' ' LEU . 8.3 tt -117.1 132.01 56.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.94 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.438 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.7 mmt -124.78 136.68 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.02 137.0 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 64.51 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 72.32 111.131 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 73.35 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . 0.489 ' CA ' HG23 ' H' ' 29' ' ' THR . 83.2 p -120.51 178.37 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 64.1 110.88 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.53 146.02 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.864 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.36 138.56 6.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 44.14 112.529 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 13.7 t -129.97 131.29 45.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 64.22 111.204 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -122.01 124.23 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.45 110.859 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.36 121.52 27.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 72.04 111.181 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . 0.431 ' OG ' HG13 ' H' ' 23' ' ' VAL . 4.1 m -140.85 141.64 34.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 44.0 110.837 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.97 154.52 45.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 71.54 110.923 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -144.41 137.42 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.872 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 23.0 t -148.26 137.55 22.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 54.11 110.861 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -140.61 140.34 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -134.7 123.66 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 64.54 110.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.518 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -122.04 127.8 50.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.936 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.95 124.9 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.34 110.884 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 127.33 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.838 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.17 124.31 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.21 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -113.43 119.39 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.881 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . 0.737 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -124.13 123.53 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 62.42 111.121 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 124.82 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.874 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.2 122.85 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 53.31 110.935 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 53.21 110.905 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -142.83 148.0 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.55 111.152 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.74 134.14 47.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.908 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.24 114.67 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' O' ' 126' ' ' LEU . 8.2 tt -118.14 130.22 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 63.44 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.8 mmt -125.66 136.93 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.916 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.0 135.77 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 70.32 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.126 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.775 0.322 . . . . 65.12 111.13 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -135.74 111.78 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 65.02 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 m -128.54 147.63 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.124 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.617 ' HA ' HG12 ' I' ' 123' ' ' VAL . 11.1 t -146.46 135.45 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 54.54 110.833 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -144.61 126.2 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 74.04 110.849 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -145.44 133.71 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -133.45 142.54 48.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 65.33 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 140.76 47.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.854 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -141.68 126.72 18.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.911 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -125.7 129.7 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -135.33 122.88 22.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 75.53 110.867 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 p -130.3 127.3 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.852 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -123.65 139.27 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.931 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -139.06 119.87 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.01 144.15 47.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 35.14 111.146 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -135.48 124.11 23.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.0 124.42 50.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.57 122.25 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.815 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.62 135.37 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CD ' HG23 ' I' ' 107' ' ' THR . 1.7 tp-100 -130.32 134.7 47.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -138.75 129.88 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.602 ' CB ' HG23 ' I' ' 105' ' ' THR . 0.8 OUTLIER -134.02 150.15 51.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 63.02 110.923 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 150.08 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.894 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.71 176.78 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.142 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 62.35 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -148.22 162.18 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.23 110.912 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -164.25 161.41 21.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.944 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.29 142.83 8.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 64.32 112.542 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -132.37 136.12 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 54.21 111.154 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -138.54 115.47 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.0 m -123.3 147.41 47.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 60.42 111.127 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -143.11 137.71 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 72.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -144.99 121.34 10.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.938 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -146.21 134.63 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.941 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -132.04 147.96 52.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.862 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 74.13 110.881 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -138.56 125.72 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.54 110.884 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.94 129.34 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -136.41 123.64 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.827 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -127.54 128.95 46.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -122.35 136.94 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -142.93 123.35 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.425 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -117.7 143.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.15 111.09 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -135.62 127.37 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 63.23 110.916 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 128.56 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.69 123.03 34.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -138.97 130.18 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 55.24 111.172 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -134.12 140.01 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.946 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -136.55 130.26 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.63 148.59 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 75.51 110.953 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.57 149.58 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.906 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.423 HD21 ' NE2' ' J' ' 103' ' ' GLN . 5.3 p30 -163.97 176.44 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 70.24 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 61.1 111.121 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.725 0.298 . . . . 72.21 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' SER . . . . . 0.588 ' HB2' HG23 ' K' ' 129' ' ' THR . 12.8 t -146.31 154.1 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.54 110.871 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -155.56 148.88 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 63.01 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 127.7 3.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.665 -0.779 . . . . 55.02 112.418 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -122.67 125.9 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 71.15 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -122.4 112.16 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.9 140.27 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 70.32 111.127 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.558 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.9 OUTLIER -138.15 135.12 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.838 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.5 123.85 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 72.12 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.97 135.18 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.935 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -132.14 144.08 50.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.838 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.75 140.39 42.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.864 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -142.53 127.17 18.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 42.21 110.907 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.4 OUTLIER -122.17 130.25 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 64.04 110.919 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -132.55 122.94 25.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.831 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 71.0 m -131.9 120.49 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.886 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -116.23 133.91 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.53 110.807 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.49 123.5 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.858 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.0 133.3 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 70.32 111.178 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.76 124.15 27.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.879 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -122.39 128.8 51.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 74.32 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.24 117.42 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.6 138.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.25 111.166 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -139.99 139.77 36.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -137.7 128.94 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.591 HD22 ' O ' ' K' ' 104' ' ' GLY . 3.2 tm? -120.78 134.55 55.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 74.55 110.94 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' MET . . . . . 0.483 ' H ' HD22 ' C' ' 26' ' ' LEU . 4.8 ptp -129.01 135.08 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.876 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -162.09 139.97 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . 0.585 HG23 ' O ' ' I' ' 101' ' ' HIS . 97.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 65.11 111.102 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.765 0.317 . . . . 75.44 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.21 153.47 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.842 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -153.96 145.67 23.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 130.62 3.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 45.23 112.493 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -119.06 123.21 43.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.45 111.094 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -123.11 113.13 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.24 110.873 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.88 138.4 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 61.32 111.138 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.57 134.57 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.841 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.39 121.32 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 75.34 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.96 132.22 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.4 110.953 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -134.18 147.89 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.4 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' LYS . . . . . 0.536 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -133.45 143.96 49.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.926 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 4.3 t80 -139.6 122.92 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' LEU . . . . . 0.536 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.4 OUTLIER -122.09 129.79 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.876 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.35 123.59 25.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.955 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -129.32 120.48 25.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.582 ' NH1' HD13 ' J' ' 114' ' ' LEU . 8.3 ptm180 -117.06 133.02 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.01 122.68 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.73 133.42 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.062 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 124.28 26.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 51.44 110.913 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -120.19 131.26 54.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -132.75 116.33 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.862 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -129.58 136.72 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 64.24 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' J' ' 107' ' ' THR . 2.7 tp-100 -144.02 140.92 29.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.85 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -139.21 129.74 25.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.32 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . 0.517 HD13 ' C ' ' D' ' 26' ' ' LEU . 2.9 tm? -120.81 132.01 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.924 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' MET . . . . . 0.51 ' N ' HD22 ' D' ' 26' ' ' LEU . 4.3 ptp -127.4 130.68 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.919 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -164.64 139.91 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 75.02 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' L' ' 101' ' ' HIS . 97.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 65.05 111.128 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 64.51 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' SER . . . . . 0.603 ' HB2' HG23 ' M' ' 129' ' ' THR . 36.4 t -141.51 149.71 41.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 45.2 110.844 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' GLN . . . . . 0.446 ' OE1' HD22 ' M' ' 126' ' ' LEU . 1.6 tm0? -146.76 149.08 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 71.14 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.4 128.1 3.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 60.05 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -124.68 129.75 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 63.45 111.127 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -123.43 111.34 16.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.53 137.31 53.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.12 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.596 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.2 t -139.08 134.74 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.903 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -137.26 133.07 34.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 72.35 110.803 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -140.13 127.91 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.92 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 135.99 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.866 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' LYS . . . . . 0.629 ' HD3' HD12 ' E' ' 14' ' ' LEU . 2.2 tmmm? -137.27 126.26 24.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 74.53 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.97 118.3 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 75.05 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' LEU . . . . . 0.629 HD12 ' HD3' ' E' ' 12' ' ' LYS . 0.2 OUTLIER -109.45 114.76 28.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.894 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.73 121.95 44.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 64.23 110.876 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -135.3 138.8 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 74.13 110.874 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' ARG . . . . . 0.684 ' NE ' HD11 ' N' ' 114' ' ' LEU . 0.3 OUTLIER -145.14 140.65 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.922 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.16 143.67 42.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.9 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.56 137.71 48.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.44 111.172 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.31 126.72 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.86 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -132.57 129.78 39.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 54.35 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.04 124.49 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.894 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 t -135.53 134.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 71.53 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.2 OUTLIER -141.16 125.0 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.896 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -121.44 131.71 54.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.32 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' LEU . . . . . 0.678 HD23 HG23 ' M' ' 105' ' ' THR . 3.1 tm? -123.29 132.56 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 73.25 110.947 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.9 ptp -127.94 134.52 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 74.3 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -162.23 140.99 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.873 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' THR . . . . . 0.51 HG23 ' O ' ' K' ' 101' ' ' HIS . 96.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.13 111.22 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.744 0.307 . . . . 73.14 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.66 149.55 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 73.42 110.862 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -143.97 143.86 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.893 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 130.31 3.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.746 -0.74 . . . . 63.31 112.472 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.22 127.81 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 65.14 111.084 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -122.78 112.23 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.61 135.81 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 73.13 111.177 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.578 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.2 t -133.6 134.77 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 62.22 110.867 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -140.77 129.72 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 64.31 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -141.5 127.61 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.99 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.76 135.75 49.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' LYS . . . . . 0.526 ' HD3' HD12 ' F' ' 14' ' ' LEU . 2.3 tmmm? -138.43 125.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 54.24 110.883 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.73 119.44 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 60.22 110.93 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' LEU . . . . . 0.526 HD12 ' HD3' ' F' ' 12' ' ' LYS . 0.2 OUTLIER -108.98 113.72 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 71.32 110.909 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.44 122.92 47.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -134.32 138.53 45.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 62.21 110.837 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.32 141.04 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.895 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.23 144.22 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 72.23 110.886 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' ALA . . . . . 0.54 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -131.31 136.42 48.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 54.43 111.119 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 128.08 30.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.901 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -130.83 131.06 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 50.02 110.802 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.36 123.55 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.92 133.69 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 74.15 111.161 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.46 121.86 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.904 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' TRP . . . . . 0.448 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 17.3 t-105 -122.16 129.0 51.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.946 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' LEU . . . . . 0.621 HD23 ' OG1' ' L' ' 105' ' ' THR . 2.8 tm? -125.76 132.12 52.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.02 110.937 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' F' ' 26' ' ' LEU . 2.9 ptp -129.51 131.5 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.891 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -160.96 140.92 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.874 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' THR . . . . . 0.549 HG23 ' O ' ' N' ' 101' ' ' HIS . 96.6 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 73.51 111.172 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.883 0.373 . . . . 73.11 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' SER . . . . . 0.451 ' OG ' HG23 ' O' ' 129' ' ' THR . 0.8 OUTLIER -146.57 153.26 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.895 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.94 155.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.95 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.63 128.02 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.804 -0.712 . . . . 64.21 112.537 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.7 133.2 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 41.32 111.184 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.83 111.39 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.88 139.8 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 70.32 111.191 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.585 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.4 OUTLIER -139.49 134.68 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.909 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.22 113.46 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -118.45 126.26 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.97 132.12 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 72.4 110.835 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 12' ' ' LYS . . . . . 0.63 ' CE ' HD11 ' G' ' 14' ' ' LEU . 1.8 ttpm? -136.94 128.08 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.02 127.07 35.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' LEU . . . . . 0.728 HD13 ' CD ' ' M' ' 117' ' ' ARG . 2.4 mp -118.93 113.69 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.6 120.67 40.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -137.53 142.4 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 65.11 110.841 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -147.76 148.85 31.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.925 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -138.75 143.86 39.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' O' ' 112' ' ' LYS . . . -131.97 135.32 46.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.42 129.59 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -132.09 131.74 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 71.03 110.872 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.73 128.47 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.934 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.12 122.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.149 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.84 137.76 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 25' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 5.4 p-90 -139.36 143.51 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 26' ' ' LEU . . . . . 0.656 HD23 ' OG1' ' O' ' 105' ' ' THR . 2.4 tm? -126.36 124.66 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -124.42 132.63 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 55.31 110.876 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.58 160.81 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.53 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 29' ' ' THR . . . . . 0.406 HG23 ' O ' ' M' ' 101' ' ' HIS . 9.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.119 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 71.04 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.25 152.51 39.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.842 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.95 151.9 37.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 128.42 2.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 64.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -123.56 130.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 74.12 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -131.13 112.74 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.902 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 7' ' ' THR . . . . . 0.485 HG23 ' HG3' ' P' ' 124' ' ' GLN . 0.0 OUTLIER -116.27 138.6 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 74.23 111.196 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.9 134.89 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.906 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.56 110.88 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.848 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -118.19 125.86 51.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.914 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.87 130.48 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 31.35 110.864 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 12' ' ' LYS . . . . . 0.637 ' CE ' HD11 ' H' ' 14' ' ' LEU . 1.8 ttpm? -138.15 129.52 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.2 110.899 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 126.15 31.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 14' ' ' LEU . . . . . 0.637 HD11 ' CE ' ' H' ' 12' ' ' LYS . 2.7 mp -116.03 115.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 62.14 110.959 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -114.14 121.75 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.843 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -135.84 141.53 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.887 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.13 148.59 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 71.15 110.897 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -138.17 143.19 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 63.01 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.2 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.39 132.56 42.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.886 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.3 132.17 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.851 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.09 130.33 37.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.899 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -145.34 123.53 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 65.03 111.086 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' GLN . . . . . 0.789 ' HB2' HG22 ' N' ' 107' ' ' THR . 1.2 tm0? -150.54 135.19 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -144.89 142.02 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 71.52 110.943 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 26' ' ' LEU . . . . . 0.619 HD23 ' OG1' ' N' ' 105' ' ' THR . 3.5 tm? -129.8 121.94 27.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.879 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.04 130.65 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.23 110.946 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -166.06 160.84 16.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 64.13 110.879 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' THR . . . . . 0.575 HG23 ' HA ' ' P' ' 102' ' ' SER . 9.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 65.22 111.114 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 101' ' ' HIS . . . . . 0.585 ' O ' HG23 ' C' ' 29' ' ' THR . 17.8 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 64.45 110.839 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.0 p -164.99 154.69 13.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.854 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -102.7 127.48 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 63.33 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.08 9.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 53.32 112.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 105' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -130.41 131.54 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 73.32 111.104 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -129.16 123.25 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.83 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 107' ' ' THR . . . . . 0.538 HG23 ' CD ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -117.75 126.59 52.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.43 111.146 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 5.0 p -128.58 124.26 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -148.4 143.54 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 51.21 110.824 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -150.25 140.8 22.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.913 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -123.43 146.61 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.821 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.98 128.3 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -127.95 133.83 49.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 42.1 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -138.92 116.97 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.869 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.83 112.16 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 65.01 110.894 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 30.1 p -124.54 123.07 39.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 64.33 110.866 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -137.8 135.56 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 63.04 110.902 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.35 126.98 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 65.44 111.056 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -118.84 122.63 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 64.12 110.935 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -126.97 123.52 37.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 63.22 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -146.01 146.65 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.841 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 123' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' SER . 23.4 m -141.29 163.09 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.5 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -133.87 135.09 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.3 131.89 40.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 126' ' ' LEU . . . . . 0.532 HD23 ' N ' ' I' ' 127' ' ' MET . 8.0 tt -129.74 135.65 48.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 127' ' ' MET . . . . . 0.532 ' N ' HD23 ' I' ' 126' ' ' LEU . 1.4 mmt -134.68 125.75 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 70.44 110.909 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -132.62 139.53 47.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 65.22 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 64.44 111.114 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 17.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 75.31 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.3 p -164.99 155.06 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.836 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 103' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' B' ' 28' ' ' ASN . 1.3 tm0? -103.96 125.99 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 104' ' ' GLY . . . . . 0.503 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -134.03 136.45 8.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.526 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 129.56 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 64.31 111.187 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -130.35 120.97 25.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 63.25 110.952 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 107' ' ' THR . . . . . 0.437 HG23 ' HB2' ' D' ' 24' ' ' GLN . 0.2 OUTLIER -116.95 125.17 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.105 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -129.44 124.6 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.852 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -145.44 148.24 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.814 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -146.78 138.78 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.14 110.901 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -122.92 145.34 48.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.902 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 112' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -136.4 128.52 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -124.35 134.25 53.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.1 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -139.52 116.87 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 53.1 110.92 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.43 110.6 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.41 110.827 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 29.6 p -126.27 122.25 34.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.15 110.869 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -138.71 136.09 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.22 110.922 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.31 150.0 49.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.88 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.77 130.04 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.127 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -116.47 124.5 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.913 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.98 124.54 42.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -147.76 142.73 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.852 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.07 158.48 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 64.23 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -138.49 135.65 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.2 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.47 133.57 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.25 110.9 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 126' ' ' LEU . . . . . 0.513 HD23 ' N ' ' J' ' 127' ' ' MET . 8.1 tt -129.29 135.39 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 73.31 110.852 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 127' ' ' MET . . . . . 0.513 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.4 mmt -134.29 129.63 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.919 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -131.87 137.95 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 42.1 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.152 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 101' ' ' HIS . . . . . 0.51 ' O ' HG23 ' E' ' 29' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 74.54 110.819 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 64.6 p -164.98 143.68 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.862 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.85 127.89 54.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 75.21 110.915 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 104' ' ' GLY . . . . . 0.591 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -135.7 139.17 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 73.3 112.435 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 105' ' ' THR . . . . . 0.484 ' OG1' HD23 ' C' ' 26' ' ' LEU . 9.9 m -127.96 122.48 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 75.2 111.123 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -118.04 119.58 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.9 t -120.63 133.79 55.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.098 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.3 124.61 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 61.42 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 140.65 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 54.13 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -138.46 142.97 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.918 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.25 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 112' ' ' LYS . . . . . 0.632 ' NZ ' HD12 ' K' ' 114' ' ' LEU . 21.2 tptp -132.94 129.3 38.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.88 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.1 114.95 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 114' ' ' LEU . . . . . 0.632 HD12 ' NZ ' ' K' ' 112' ' ' LYS . 0.1 OUTLIER -119.56 110.02 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.874 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.8 109.86 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 63.53 110.83 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.02 129.58 45.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.846 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 117' ' ' ARG . . . . . 0.752 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.1 OUTLIER -141.72 145.11 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.84 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 147.83 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.37 129.64 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 71.24 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.33 123.11 40.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 71.03 110.902 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.95 125.17 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.879 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.38 146.07 30.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.847 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 123' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.4 m -145.84 156.96 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 44.51 111.143 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -131.31 141.22 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.13 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -135.81 119.35 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.869 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 126' ' ' LEU . . . . . 0.431 HD23 ' C ' ' K' ' 126' ' ' LEU . 7.3 tt -111.69 125.64 54.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 62.43 110.984 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -123.04 125.15 44.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.909 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.13 129.88 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.927 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 129' ' ' THR . . . . . 0.588 HG23 ' HB2' ' C' ' 2' ' ' SER . 3.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 101' ' ' HIS . . . . . 0.574 ' O ' HG23 ' D' ' 29' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 71.5 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.15 143.29 6.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.04 110.833 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.42 125.57 51.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.885 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 104' ' ' GLY . . . . . 0.47 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -138.7 136.25 7.91 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 72.55 112.533 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 105' ' ' THR . . . . . 0.621 ' OG1' HD23 ' F' ' 26' ' ' LEU . 11.5 m -129.93 120.78 25.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 75.32 111.17 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -118.05 117.41 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.842 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 107' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 24' ' ' GLN . 1.7 t -121.28 131.25 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.32 111.179 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.48 124.47 21.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 62.25 110.824 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.93 141.55 47.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.15 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -137.21 142.66 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.906 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.27 135.06 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 52.33 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 112' ' ' LYS . . . . . 0.617 ' NZ ' HD12 ' L' ' 114' ' ' LEU . 21.3 tptp -132.09 128.35 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 51.22 110.899 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.37 114.74 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 114' ' ' LEU . . . . . 0.617 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.1 OUTLIER -117.81 111.67 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 72.45 110.888 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.29 109.64 18.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.905 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.55 129.68 46.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.44 110.851 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.55 139.95 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.845 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 118' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.1 OUTLIER -137.42 149.82 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.887 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.67 131.0 19.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.33 123.14 42.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.43 110.949 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.82 129.9 51.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 72.51 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -146.36 145.43 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 123' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' F' ' 8' ' ' SER . 12.0 m -145.75 154.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.14 111.174 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.85 140.51 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.23 120.09 18.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 126' ' ' LEU . . . . . 0.422 ' C ' HD23 ' L' ' 126' ' ' LEU . 7.3 tt -113.6 126.4 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.94 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -121.28 128.29 52.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.888 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -128.07 128.92 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 75.33 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.11 111.152 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' M' M ' 101' ' ' HIS . . . . . 0.406 ' O ' HG23 ' G' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 72.11 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 59.4 p -163.33 148.39 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.909 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.19 129.44 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.872 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 104' ' ' GLY . . . . . 0.557 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -137.43 138.98 10.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.746 . . . . 75.2 112.522 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 105' ' ' THR . . . . . 0.678 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -129.11 122.76 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 71.24 111.157 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -118.37 112.74 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 107' ' ' THR . . . . . 0.482 HG22 ' HG3' ' E' ' 24' ' ' GLN . 20.4 p -115.79 119.63 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -129.77 130.87 45.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -139.25 138.0 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -136.03 146.39 47.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.933 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.46 141.08 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 65.41 110.848 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.4 134.98 44.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.861 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -129.55 117.07 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 114' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -122.3 123.84 42.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.69 110.87 11.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.872 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -130.26 125.25 34.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 117' ' ' ARG . . . . . 0.728 ' CD ' HD13 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -130.47 134.28 46.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.882 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 129.54 51.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.865 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.76 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.51 111.154 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -135.21 122.11 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.0 130.2 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -145.95 146.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 123' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.6 m -142.86 155.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.43 139.94 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.934 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -130.6 121.35 25.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.3 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 126' ' ' LEU . . . . . 0.461 HD23 ' N ' ' M' ' 127' ' ' MET . 6.5 tt -109.39 125.95 52.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.929 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 127' ' ' MET . . . . . 0.461 ' N ' HD23 ' M' ' 126' ' ' LEU . 2.5 mmt -124.64 124.85 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.12 110.877 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -130.69 134.78 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 62.13 110.917 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 129' ' ' THR . . . . . 0.603 HG23 ' HB2' ' E' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.25 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 101' ' ' HIS . . . . . 0.549 ' O ' HG23 ' F' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.755 0.312 . . . . 74.24 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 58.9 p -163.39 148.54 11.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 62.52 110.903 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 103' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.0 OUTLIER -111.94 127.16 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.871 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 104' ' ' GLY . . . . . 0.505 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.09 136.78 7.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.695 -0.764 . . . . 54.03 112.44 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 105' ' ' THR . . . . . 0.619 ' OG1' HD23 ' H' ' 26' ' ' LEU . 0.2 OUTLIER -128.59 122.07 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 73.02 111.134 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -119.15 111.86 18.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 107' ' ' THR . . . . . 0.789 HG22 ' HB2' ' H' ' 24' ' ' GLN . 19.9 p -113.49 118.95 35.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 74.34 111.13 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 15.5 p -129.29 128.0 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.25 110.824 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.81 138.78 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -134.19 146.31 50.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 50.54 110.876 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.69 141.01 29.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 74.35 110.84 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 112' ' ' LYS . . . . . 0.54 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 1.1 ttmt -134.13 138.45 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.17 118.32 25.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 114' ' ' LEU . . . . . 0.684 HD11 ' NE ' ' E' ' 17' ' ' ARG . 0.0 OUTLIER -118.94 122.24 41.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 73.32 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.18 109.08 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.55 110.917 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 7.4 p -130.55 126.52 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.86 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 129.68 44.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 64.21 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.16 128.7 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.41 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.76 132.62 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 51.12 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -131.03 123.84 29.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.882 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.67 129.87 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.821 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -144.64 144.69 31.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.965 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.21 152.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.155 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.49 138.49 39.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 64.35 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -130.52 120.6 24.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 62.02 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 126' ' ' LEU . . . . . 0.436 HD23 ' C ' ' N' ' 126' ' ' LEU . 6.4 tt -111.74 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 62.42 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 127' ' ' MET . . . . . 0.436 ' N ' HD23 ' N' ' 126' ' ' LEU . 2.5 mmt -125.39 127.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.88 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -130.61 134.67 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.42 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.161 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 m170 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 65.4 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -76.17 143.19 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.855 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 147.27 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 62.35 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 104' ' ' GLY . . . . . 0.552 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.45 136.53 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 62.3 112.51 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 105' ' ' THR . . . . . 0.656 ' OG1' HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -127.38 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 74.43 111.105 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 106' ' ' PHE . . . . . 0.483 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 33.5 t80 -129.23 128.9 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 62.41 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -137.82 125.04 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.32 111.16 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 11.9 p -142.64 145.72 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 73.11 110.889 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.78 157.98 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.843 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -147.44 144.24 28.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.915 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.43 141.76 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 65.31 110.892 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 112' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' G' ' 19' ' ' ALA . 0.2 OUTLIER -135.03 128.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 71.4 110.916 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.68 124.49 44.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 75.33 110.894 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -125.3 120.28 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 43.51 110.882 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -129.47 112.27 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.858 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 122.12 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.14 110.919 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 130.8 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.835 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.95 119.36 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 70.12 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.24 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.119 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.03 122.41 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.51 110.878 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.02 126.68 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.853 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -137.05 144.46 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.31 110.841 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 123' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' G' ' 8' ' ' SER . 10.6 m -142.81 157.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.187 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -134.79 140.8 46.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.13 123.3 24.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.936 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' P' ' 126' ' ' LEU . 6.4 tt -115.54 130.4 56.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 127' ' ' MET . . . . . 0.545 ' N ' HD23 ' O' ' 126' ' ' LEU . 3.1 mmt -129.63 124.98 35.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.94 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.72 131.9 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 64.51 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 129' ' ' THR . . . . . 0.451 HG23 ' OG ' ' G' ' 2' ' ' SER . 3.6 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 47.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.822 0.344 . . . . 73.35 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 102' ' ' SER . . . . . 0.575 ' HA ' HG23 ' H' ' 29' ' ' THR . 5.4 m -75.3 142.56 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 64.1 110.803 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 146.6 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.11 110.899 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.37 138.7 6.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.04 135.15 49.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 64.22 111.164 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.58 129.22 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 64.45 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -136.7 125.63 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.04 111.207 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 12.2 p -144.26 144.66 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 44.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.34 158.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -147.69 143.47 27.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.11 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 54.11 110.847 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.93 128.24 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 73.41 110.896 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -121.74 125.49 46.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.54 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -123.02 120.95 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -131.86 109.88 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.86 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.28 123.35 37.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.826 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.95 130.94 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.902 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.79 120.01 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.813 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.63 123.48 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 62.42 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.49 124.85 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 74.33 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.88 124.09 28.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 53.31 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -135.59 143.95 45.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 53.21 110.864 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.97 155.24 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 54.55 111.112 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 124' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' H' ' 7' ' ' THR . 40.7 tt0 -135.83 139.95 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.21 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -131.61 124.24 29.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 74.53 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' O' ' 126' ' ' LEU . 6.2 tt -118.08 128.22 54.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 63.44 110.946 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' P' ' 126' ' ' LEU . 3.1 mmt -128.66 128.74 44.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.881 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.75 132.46 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 70.32 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 71.54 111.159 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.811 0.338 . . . . 63.31 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -153.68 163.98 39.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 54.25 110.868 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.613 HE22 HD11 ' J' ' 126' ' ' LEU . 1.2 pp0? -167.02 168.55 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.909 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.66 129.21 2.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 64.52 112.459 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -121.93 139.14 54.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 65.12 111.142 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -143.21 121.3 12.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 m -133.49 124.87 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 74.43 111.142 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.4 p -127.94 134.76 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 54.54 110.878 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.23 129.97 34.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 74.04 110.838 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -143.87 121.71 11.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.915 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 130.51 23.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 65.33 110.873 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' HG3' ' HB2' ' I' ' 119' ' ' ALA . 0.0 OUTLIER -137.51 136.03 37.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.916 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.88 143.5 50.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 75.1 110.896 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' I' ' 117' ' ' ARG . 2.9 tp -134.09 115.49 14.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 74.25 110.937 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -118.35 125.09 49.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.849 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -132.48 143.35 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.838 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -143.19 135.15 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 72.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -129.89 128.5 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 65.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.86 142.0 51.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 35.14 111.064 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.48 124.06 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.933 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -120.12 135.74 54.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.84 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -127.64 127.78 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.02 110.923 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.7 t -135.92 116.94 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 74.23 111.133 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -145.07 139.11 27.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.887 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -149.45 141.68 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.922 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.787 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.1 pp -136.59 137.06 39.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 63.02 110.875 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.44 136.74 50.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.864 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -156.25 176.88 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.909 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.24 111.168 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.813 0.339 . . . . 62.35 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -153.46 164.6 37.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.889 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -166.86 167.18 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.14 110.902 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 130.35 2.93 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.703 -0.761 . . . . 64.32 112.461 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.715 ' CG2' HD12 ' J' ' 126' ' ' LEU . 2.0 p -122.61 138.7 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.797 0.332 . . . . 54.21 111.147 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.55 126.32 20.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 74.21 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' HB3' ' J' ' 124' ' ' GLN . 11.3 m -128.81 127.42 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 60.42 111.118 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 p -126.19 135.54 51.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 72.1 110.81 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 131.24 36.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 64.32 110.859 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -139.95 125.19 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 134.58 38.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 74.52 110.847 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.53 139.7 46.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.88 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.48 140.46 51.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.932 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' J' ' 117' ' ' ARG . 4.2 tp -136.15 113.55 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.44 110.903 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -122.0 123.15 40.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 73.35 110.83 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -131.19 143.79 50.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 51.11 110.853 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -142.55 131.68 23.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.925 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -132.39 129.72 39.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.87 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.53 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -127.32 140.38 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 72.15 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -140.94 123.93 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 63.23 110.95 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -119.17 135.91 54.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.845 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.78 125.71 42.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -138.59 120.97 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 55.24 111.113 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -139.11 142.09 38.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.33 110.915 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -144.47 138.59 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.905 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.58 137.84 42.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.948 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.81 136.41 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.875 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.426 HD21 ' NE2' ' J' ' 103' ' ' GLN . 4.5 p30 -156.84 177.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 70.24 110.865 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.434 HG23 ' HA ' ' J' ' 102' ' ' SER . 8.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.1 111.11 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.809 0.338 . . . . 72.21 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.74 160.98 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 51.54 110.832 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -160.55 136.63 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 63.01 110.879 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.17 128.54 6.02 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 55.02 112.5 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.98 HG22 HD12 ' I' ' 126' ' ' LEU . 16.6 p -127.44 116.65 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.838 0.351 . . . . 71.15 111.136 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -123.57 143.56 50.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.868 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.8 151.07 35.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 70.32 111.144 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.65 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -145.48 134.44 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 64.24 110.87 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.19 122.57 19.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.872 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -132.35 122.63 25.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.917 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 138.38 48.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 64.41 110.817 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 137.81 29.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.939 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -131.78 135.07 46.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 42.21 110.957 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -127.65 123.17 34.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 64.04 110.932 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -128.79 123.55 33.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.3 110.848 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.15 121.3 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.869 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -121.79 136.56 54.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -134.48 129.35 35.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 73.13 110.886 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . 0.422 ' HB1' ' OH ' ' I' ' 110' ' ' TYR . . . -129.42 142.22 50.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 70.32 111.092 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -143.78 135.87 26.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.21 110.947 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -135.77 135.42 39.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.906 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.25 132.02 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.877 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . 0.561 HG13 ' HE1' ' I' ' 106' ' ' PHE . 92.2 t -133.72 124.39 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 61.25 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -135.6 133.05 37.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 73.25 110.953 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.07 130.15 38.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.4 OUTLIER -129.12 124.02 33.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.43 . . . . 74.55 110.954 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.86 135.29 54.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.906 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -161.45 175.7 11.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.906 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.9 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 65.11 111.091 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.69 160.4 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.866 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -158.79 133.62 8.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.87 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.45 130.18 5.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 45.23 112.513 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . 0.421 HG21 HG21 ' C' ' 5' ' ' THR . 18.2 p -123.98 115.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 72.45 111.144 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -122.92 146.26 47.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 64.24 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -147.44 150.23 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 61.32 111.15 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.577 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.9 t -141.74 134.86 29.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.829 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.17 121.27 16.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.34 110.885 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.81 122.99 26.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 70.4 110.925 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 138.44 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 64.4 110.824 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.56 137.78 32.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 74.24 110.865 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -131.39 134.11 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.0 122.54 30.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 73.32 110.932 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -130.13 124.03 31.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 71.12 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 78.8 p -132.85 119.85 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.894 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -122.66 135.03 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.861 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -136.92 131.57 33.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.895 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.736 ' HB2' ' HE3' ' L' ' 112' ' ' LYS . . . -128.85 141.35 51.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.43 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -144.38 136.46 26.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 51.44 110.958 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -136.41 136.36 39.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 74.12 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -125.4 130.78 52.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.837 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . 0.411 HG13 ' HE1' ' L' ' 106' ' ' PHE . 47.7 t -136.83 126.36 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 64.24 111.195 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -134.73 132.18 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.904 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.06 129.33 39.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.949 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.62 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.4 OUTLIER -131.01 121.97 25.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.945 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.52 129.52 52.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.844 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -163.39 177.22 9.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 65.05 111.153 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 64.51 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.46 157.06 40.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 45.2 110.861 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.554 HE22 HD11 ' N' ' 126' ' ' LEU . 1.1 tm0? -155.55 129.82 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 71.14 110.922 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.18 132.22 6.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 60.05 112.508 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 12.4 p -128.43 118.17 22.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 63.45 111.138 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -125.87 121.11 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 75.24 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . 0.44 HG22 ' HB3' ' M' ' 124' ' ' GLN . 11.0 t -132.1 145.87 51.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.138 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.589 ' HA ' HG12 ' M' ' 123' ' ' VAL . 3.0 t -137.94 134.91 35.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.845 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.02 118.53 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.818 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -129.48 120.34 25.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.952 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 130.3 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.839 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.38 153.49 51.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.9 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -144.77 139.99 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -131.93 131.74 42.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 75.22 110.911 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.3 126.3 33.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.875 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 49.3 p -134.18 120.99 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.854 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.563 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -122.3 136.39 54.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.885 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -132.87 129.59 38.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' K' ' 112' ' ' LYS . . . -126.48 140.21 52.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.44 111.096 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -142.66 136.03 28.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.891 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -137.13 136.46 38.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 54.35 110.909 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -129.8 130.22 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.882 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.31 123.38 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 71.53 111.166 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.3 123.94 35.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.1 131.47 56.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 70.32 110.955 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.708 ' HG ' HG23 ' M' ' 105' ' ' THR . 0.5 OUTLIER -132.38 128.8 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 73.25 110.897 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -128.63 133.37 48.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.894 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -161.78 176.99 10.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.34 110.872 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.17 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.843 0.354 . . . . 73.14 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 11.0 p -152.23 157.14 41.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.857 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -154.04 129.75 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.31 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.86 133.1 6.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 63.31 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -125.96 118.55 25.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 65.14 111.162 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -124.86 123.65 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 73.13 110.871 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . 0.744 HG22 ' HG3' ' L' ' 124' ' ' GLN . 12.6 t -127.63 144.64 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 73.13 111.14 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -135.1 135.14 40.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 62.22 110.851 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.56 116.93 11.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 64.31 110.842 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -129.23 120.86 26.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.906 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.09 133.2 44.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.901 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.44 ' CD ' HD11 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -133.31 153.38 51.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 54.24 110.92 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -144.57 137.23 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 60.22 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' F' ' 12' ' ' LYS . 1.2 mp -132.0 130.15 41.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.941 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -134.83 126.01 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.866 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 49.7 p -133.27 119.55 19.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 62.21 110.858 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . 0.415 ' HB2' ' HZ1' ' N' ' 112' ' ' LYS . 7.0 ptm180 -124.45 134.36 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.874 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -134.61 131.71 38.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.23 110.854 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.436 ' HB2' ' HE2' ' N' ' 112' ' ' LYS . . . -124.71 139.89 53.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 54.43 111.156 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -141.52 138.11 32.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.44 110.9 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -136.62 137.49 40.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 50.02 110.934 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -128.17 129.44 46.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.884 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 t -139.9 121.85 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.131 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.87 120.39 24.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.23 110.936 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.8 129.3 54.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.901 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.598 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.5 OUTLIER -134.41 129.82 35.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 50.02 110.938 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.24 128.69 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.851 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -164.5 177.35 8.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 73.15 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.106 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 73.11 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.09 154.35 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.896 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . 0.569 HE22 HD11 ' P' ' 126' ' ' LEU . 1.1 tm0? -152.24 129.87 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.87 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -130.5 132.6 6.99 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 64.21 112.455 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.3 p -126.92 120.9 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 41.32 111.186 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -125.96 112.77 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -125.47 147.44 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 70.32 111.142 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.602 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -141.63 135.27 29.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.815 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.45 122.33 18.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 73.51 110.87 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.26 129.33 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.922 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 30.1 t -140.04 128.57 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 72.4 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -132.39 144.58 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 71.43 110.887 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -140.18 136.9 33.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' O' ' 117' ' ' ARG . 1.6 mp -130.51 124.37 31.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -124.92 123.18 39.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.885 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.18 120.14 19.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.11 110.893 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . 0.666 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.2 ptm180 -124.33 134.98 53.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.877 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -129.03 130.01 46.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 73.24 110.845 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.18 131.59 54.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.22 111.112 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.93 124.23 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.1 110.94 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.94 127.46 34.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 71.03 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -118.09 134.15 55.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.919 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 t -139.95 135.7 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.15 111.099 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -144.74 122.91 12.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 52.22 110.883 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.52 129.64 51.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 71.51 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.685 HD23 ' O ' ' O' ' 104' ' ' GLY . 0.3 OUTLIER -131.71 142.58 49.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.924 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.423 ' HE1' ' HA3' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -144.29 130.34 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 55.31 110.855 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -164.99 144.17 6.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 74.01 111.143 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.813 0.34 . . . . 71.04 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.01 154.1 36.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.54 110.881 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -150.67 129.57 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 74.11 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.6 133.27 6.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 64.03 112.503 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . 0.436 HG22 HD12 ' P' ' 126' ' ' LEU . 12.7 p -125.1 120.3 31.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 74.12 111.157 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -126.06 116.16 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.868 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -121.89 147.85 45.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.149 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -137.33 135.06 36.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.863 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.63 120.23 13.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 74.05 110.904 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -132.1 132.44 43.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.52 110.911 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 30.0 t -137.36 130.11 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 31.35 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -129.63 145.79 51.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -139.74 134.82 32.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.879 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.619 HD13 ' CD ' ' P' ' 117' ' ' ARG . 1.6 mp -130.85 122.99 28.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 62.14 110.915 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -128.78 122.78 31.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.859 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.19 119.77 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 61.14 110.873 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -125.6 132.84 52.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -129.53 130.06 45.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.01 110.879 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' P' ' 112' ' ' LYS . . . -122.81 131.52 53.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.121 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -137.6 125.37 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 62.42 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -132.79 128.06 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.907 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.32 134.59 54.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.921 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -141.37 133.26 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 65.03 111.12 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . 0.403 ' NE2' HG23 ' N' ' 107' ' ' THR . 2.8 tp-100 -146.88 120.78 9.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 74.52 110.929 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -124.15 130.68 52.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.923 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.3 OUTLIER -132.95 143.74 49.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.894 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . 0.428 ' HE1' ' HA3' ' N' ' 104' ' ' GLY . 0.0 OUTLIER -143.7 130.18 20.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.862 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -165.29 144.32 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.13 110.841 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.599 HG23 ' HA ' ' P' ' 102' ' ' SER . 3.0 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.22 111.121 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 64.45 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 3.1 p -122.68 160.33 26.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 72.01 110.9 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -108.22 126.96 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.11 138.93 10.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 53.32 112.465 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.787 HG23 ' HB3' ' A' ' 26' ' ' LEU . 3.8 m -134.72 126.47 29.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.343 . . . . 73.32 111.118 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . 0.561 ' HE1' HG13 ' C' ' 23' ' ' VAL . 21.7 t80 -126.24 130.9 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . 0.407 ' O ' HG23 ' I' ' 107' ' ' THR . 4.3 t -137.09 117.65 13.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 73.43 111.16 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 6.7 t -135.52 143.39 45.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.842 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -141.33 143.81 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 51.21 110.854 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . 0.422 ' OH ' ' HB1' ' C' ' 19' ' ' ALA . 5.4 t80 -130.3 128.57 41.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.928 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -122.41 134.53 54.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 74.22 110.832 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -133.41 130.62 38.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 63.41 110.89 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -132.19 119.82 21.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 42.1 110.923 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' J' ' 114' ' ' LEU . 0.1 OUTLIER -120.36 136.32 54.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.41 110.878 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -141.88 111.78 6.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 65.01 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.06 121.46 34.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 64.33 110.84 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . 0.541 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.15 141.07 46.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.881 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.21 42.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 63.04 110.875 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 12' ' ' LYS . . . -138.64 123.06 18.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.44 111.142 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.34 126.92 45.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 64.12 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.7 120.53 15.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 110.88 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -140.22 141.48 35.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 64.12 110.85 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 8' ' ' SER . 4.6 m -143.73 160.68 16.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 74.5 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.47 144.36 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.923 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 31.0 p-90 -142.49 139.33 31.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.942 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.98 HD12 HG22 ' C' ' 5' ' ' THR . 2.1 tt -132.87 139.9 47.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 73.1 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.1 125.46 37.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.881 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.35 136.72 54.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.22 110.912 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 64.44 111.171 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 26.9 m170 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.811 0.338 . . . . 75.31 110.916 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . 0.434 ' HA ' HG23 ' B' ' 29' ' ' THR . 3.1 p -122.32 161.24 23.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 53.43 110.822 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . 0.426 ' NE2' HD21 ' B' ' 28' ' ' ASN . 1.2 tm0? -107.55 125.42 51.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 74.23 110.897 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . 0.62 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.27 137.13 9.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 74.24 112.512 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . 0.405 HG23 ' HG ' ' D' ' 26' ' ' LEU . 3.6 m -131.29 126.94 36.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.829 0.347 . . . . 64.31 111.126 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -127.12 131.21 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 63.25 110.875 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 4.4 t -135.4 120.18 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 73.22 111.147 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 6.8 t -136.33 134.69 38.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.872 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.27 145.29 30.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 71.41 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -129.62 127.5 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.929 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -121.7 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.829 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.53 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 10.8 tppt? -134.25 130.22 36.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 74.43 110.898 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -130.8 120.21 23.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -120.02 136.4 54.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 53.1 110.895 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -139.72 109.66 6.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.908 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.95 121.85 32.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 53.15 110.827 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -134.93 140.8 46.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 71.22 110.897 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 145.31 47.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.921 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.7 123.61 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.03 111.082 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -125.41 128.98 48.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.906 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -138.1 123.84 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.818 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -136.81 138.33 40.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.875 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' D' ' 8' ' ' SER . 6.3 m -144.07 157.95 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 64.23 111.138 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . 0.813 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -154.85 144.74 21.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 71.2 110.939 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 30.7 p-90 -140.62 141.2 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.906 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' B' ' 5' ' ' THR . 1.1 tt -133.12 138.86 46.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.879 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 15.0 mmt -129.24 126.83 39.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.837 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.27 135.27 54.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 42.1 110.917 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.169 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.819 0.343 . . . . 74.54 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.4 156.1 25.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 129.2 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.898 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.659 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -133.18 138.13 9.89 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.3 112.517 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.802 HG23 ' HG ' ' C' ' 26' ' ' LEU . 2.0 m -132.48 123.4 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 75.2 111.188 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -124.9 125.12 43.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.4 110.878 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.94 116.3 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 71.51 111.116 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 6.6 p -130.55 133.83 46.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 61.42 110.876 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.28 135.03 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.13 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -125.5 131.62 52.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.51 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 63.01 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' E' ' 19' ' ' ALA . 1.1 tppm? -136.29 134.1 37.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 73.04 110.879 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -136.59 123.45 21.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -125.83 122.52 36.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.42 110.895 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.7 111.86 15.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.836 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 26.2 p -126.58 128.22 46.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 72.15 110.858 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.548 HH21 ' HB2' ' K' ' 119' ' ' ALA . 4.9 ptm180 -140.8 142.37 34.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 73.11 110.859 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.64 144.59 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.827 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . 0.548 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -140.69 123.1 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.1 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -130.52 128.3 40.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.03 110.869 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -135.4 122.02 20.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -136.98 141.4 42.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.89 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.65 HG12 ' HA ' ' C' ' 8' ' ' SER . 11.3 m -140.94 162.05 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 44.51 111.154 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -140.67 151.13 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 65.13 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -150.58 120.18 6.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.872 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' L' ' 126' ' ' LEU . 0.9 OUTLIER -124.53 128.83 49.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.95 124.86 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.909 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.52 135.31 53.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.04 110.881 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.7 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.153 -0.476 . . . . 74.02 111.152 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 71.5 110.91 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 1.5 p -160.67 156.26 25.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.04 110.887 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.35 125.26 43.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.921 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.598 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.75 138.2 9.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 72.55 112.45 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 2.0 m -132.37 124.05 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 75.32 111.133 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . 0.411 ' HE1' HG13 ' D' ' 23' ' ' VAL . 9.6 t80 -125.54 125.88 43.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.87 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.01 116.25 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.32 111.088 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 6.5 p -129.23 128.58 43.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 62.25 110.882 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.1 135.79 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.15 110.871 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -125.58 129.47 49.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.921 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 21.6 t -132.13 134.43 45.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 52.33 110.878 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.736 ' HE3' ' HB2' ' D' ' 19' ' ' ALA . 1.1 tppm? -138.92 135.03 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 51.22 110.884 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -134.95 124.16 24.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.951 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.721 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -125.68 122.64 36.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 72.45 110.934 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.43 110.7 13.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 63.41 110.835 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 26.5 p -126.74 129.24 48.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.505 HH21 ' HB2' ' L' ' 119' ' ' ALA . 5.1 ptm180 -140.54 141.88 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.882 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.35 145.62 51.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 63.23 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . 0.505 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -139.57 124.86 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.068 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -129.68 128.18 42.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -135.95 124.59 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.51 110.88 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -136.3 139.89 42.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.894 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.2 m -141.14 158.91 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.14 111.148 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . 0.744 ' HG3' HG22 ' F' ' 7' ' ' THR . 1.2 pp0? -144.31 153.46 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.892 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -150.02 122.42 8.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.939 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.875 HD13 HD13 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -125.74 130.87 52.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 71.45 110.905 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 129.15 49.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.893 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.89 133.24 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 54.11 111.119 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.354 . . . . 72.11 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.56 163.2 30.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.852 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.54 130.21 55.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.893 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.22 138.38 9.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 75.2 112.494 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.708 HG23 ' HG ' ' E' ' 26' ' ' LEU . 4.3 m -132.27 135.27 46.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 71.24 111.162 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -133.97 115.8 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.89 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.53 121.0 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.149 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.22 134.13 48.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.823 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.72 135.53 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.867 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.82 134.27 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.887 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 65.8 m -137.53 134.5 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 65.41 110.867 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . 0.451 ' HZ1' ' HB2' ' G' ' 17' ' ' ARG . 0.2 OUTLIER -138.31 131.39 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.899 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -132.82 117.0 17.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 73.1 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.495 HD13 HD13 ' N' ' 114' ' ' LEU . 0.1 OUTLIER -121.55 118.82 30.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 75.11 110.927 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.57 111.51 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.13 110.829 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -130.71 127.41 38.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . 0.629 ' HD2' HD23 ' E' ' 14' ' ' LEU . 1.1 ptm180 -144.43 145.24 31.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.4 110.914 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.46 154.52 49.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . 0.454 ' HB2' ' NH2' ' M' ' 117' ' ' ARG . . . -142.29 129.66 21.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.51 111.128 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.82 122.28 34.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.918 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -130.39 121.25 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 72.13 110.865 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -138.06 141.22 40.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.35 110.869 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.5 m -143.07 154.29 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.53 111.104 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . 0.44 ' HB3' HG22 ' E' ' 7' ' ' THR . 6.3 tt0 -130.39 140.2 50.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -138.99 114.46 9.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.923 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' N' ' 126' ' ' LEU . 1.8 tt -120.75 131.42 54.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 74.1 110.943 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.75 124.19 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.848 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.24 132.83 53.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.13 110.837 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.168 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.785 0.326 . . . . 74.24 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 28.3 t -134.29 163.08 30.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.828 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.68 126.39 52.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 70.22 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.474 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.09 137.74 8.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 54.03 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 4.2 m -128.56 134.64 48.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 73.02 111.162 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -134.26 114.3 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . 0.403 HG23 ' NE2' ' H' ' 24' ' ' GLN . 0.2 OUTLIER -111.41 122.2 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.135 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.31 131.33 50.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 63.25 110.881 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.83 138.49 37.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 72.32 110.911 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -128.57 133.37 48.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 50.54 110.931 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 65.5 m -135.05 134.67 40.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.839 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -141.37 130.62 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.33 110.89 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -131.5 116.81 17.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.898 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.563 HD11 ' HD3' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -121.81 117.86 27.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.933 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -127.57 110.14 12.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.55 110.868 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 2.2 p -129.55 130.36 45.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.841 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . 0.53 ' NH2' ' HB2' ' N' ' 119' ' ' ALA . 1.3 ptm180 -145.39 144.61 30.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 64.21 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.49 155.15 50.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 70.41 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . 0.53 ' HB2' ' NH2' ' N' ' 117' ' ' ARG . . . -142.6 130.02 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.12 111.059 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -127.72 122.27 32.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.935 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -130.9 122.42 26.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -136.33 142.56 43.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 70.1 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 10.2 m -142.85 150.69 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 75.12 111.152 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -133.77 140.52 47.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.35 110.902 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.41 116.21 10.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 62.02 110.935 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.611 HD13 HD13 ' M' ' 126' ' ' LEU . 1.6 tt -121.19 132.11 54.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.947 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.14 125.65 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.52 110.86 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -122.99 132.46 54.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.891 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 71.12 111.123 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 31.8 m170 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.806 0.336 . . . . 65.4 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.6 p -111.28 178.56 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.53 139.37 53.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 62.35 110.967 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.685 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -143.54 138.7 8.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 62.3 112.482 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -128.6 140.23 51.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 74.43 111.151 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -135.19 113.21 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 62.41 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -110.96 133.48 53.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.128 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -143.35 135.53 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.848 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -142.72 136.28 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.842 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -128.29 127.85 43.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.935 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.18 134.95 40.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 65.31 110.876 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.31 136.36 34.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 71.4 110.927 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -130.26 118.77 21.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.919 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.444 HD22 HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -120.48 116.06 24.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.08 -0.509 . . . . 43.51 110.903 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.07 112.1 16.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.87 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.16 127.93 34.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.14 110.861 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' G' ' 14' ' ' LEU . 4.6 ptm180 -141.06 152.81 45.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.888 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.52 145.97 32.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 70.12 110.847 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.57 123.83 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.33 122.11 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 64.51 110.904 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -130.75 123.44 29.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -141.5 142.3 33.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.31 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.1 m -142.67 158.72 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 75.42 111.141 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.93 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.932 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.75 114.69 11.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.89 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.432 ' C ' HD23 ' O' ' 126' ' ' LEU . 3.8 tt -120.43 133.41 55.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.247 -0.433 . . . . 72.23 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.401 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.2 mmt -128.49 124.29 35.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 74.44 110.853 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -124.85 133.23 53.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.51 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.133 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 32.0 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.819 0.342 . . . . 73.35 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . 0.599 ' HA ' HG23 ' H' ' 29' ' ' THR . 83.7 p -111.68 179.94 3.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 64.1 110.883 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -120.72 139.86 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 72.11 110.94 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.76 139.53 9.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 44.14 112.503 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.8 t -128.41 139.19 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 64.22 111.119 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -136.75 111.04 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m -114.23 131.97 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 72.04 111.173 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -144.21 135.07 25.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 44.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -141.53 135.83 30.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.54 110.861 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -127.91 127.62 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.917 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -135.54 134.47 39.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 54.11 110.861 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -138.84 136.11 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 73.41 110.922 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.14 118.35 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 64.54 110.898 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -118.43 117.56 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.954 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -125.87 111.29 14.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 65.34 110.901 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.78 130.51 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.871 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . 0.619 ' CD ' HD13 ' H' ' 14' ' ' LEU . 5.3 ptm180 -140.37 153.44 46.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.844 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.77 147.63 35.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.857 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . 0.428 ' HB2' HH21 ' P' ' 117' ' ' ARG . . . -137.29 123.51 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 62.42 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.84 122.35 37.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -133.9 121.72 22.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 53.31 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -141.08 142.31 34.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 53.21 110.856 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.8 m -144.12 156.14 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 54.55 111.106 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.69 134.28 37.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.21 110.897 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.96 116.15 14.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 74.53 110.919 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.569 HD11 HE22 ' G' ' 3' ' ' GLN . 3.7 tt -120.61 133.63 55.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.909 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.3 mmt -128.4 125.49 38.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.866 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.21 134.17 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 70.32 110.884 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.54 111.157 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.855 0.359 . . . . 63.31 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 p -143.72 153.47 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 54.25 110.839 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -167.31 167.55 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.886 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.52 135.09 4.44 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 64.52 112.457 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -124.22 125.94 45.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 65.12 111.091 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -125.27 112.1 16.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 65.02 110.836 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -126.3 148.51 49.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 74.43 111.102 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.672 ' HA ' HG12 ' I' ' 123' ' ' VAL . 9.4 t -150.85 134.57 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 54.54 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -139.01 130.12 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 74.04 110.842 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -138.89 128.64 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.94 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 t -138.68 140.86 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 65.33 110.84 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.97 136.87 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.913 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -136.43 132.03 34.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 75.1 110.887 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -122.7 124.52 43.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 74.25 110.927 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -125.74 125.38 42.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.893 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -136.32 126.11 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.903 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.8 ptm180 -129.89 138.05 50.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.926 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -128.45 122.7 31.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 65.11 110.904 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 124.55 45.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 35.14 111.102 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -131.01 124.34 30.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.828 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -122.98 135.81 54.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.858 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -124.65 135.11 52.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.4 t -143.9 118.37 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 74.23 111.082 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -146.16 135.79 23.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.12 110.887 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 21.7 p-90 -139.99 138.21 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.51 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.643 HD13 ' HB ' ' I' ' 105' ' ' THR . 3.5 tp -134.71 129.46 34.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 63.02 110.922 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.542 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -128.3 154.04 46.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.895 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -164.57 172.2 13.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 75.22 110.927 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.153 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.767 0.318 . . . . 62.35 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -143.27 154.86 44.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.804 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -164.98 163.13 20.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 75.14 110.911 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.61 136.38 4.71 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.794 -0.717 . . . . 64.32 112.562 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 p -124.81 122.52 37.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 54.21 111.189 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -129.64 116.33 18.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.21 110.935 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.555 HG23 ' HB2' ' J' ' 124' ' ' GLN . 5.2 m -118.77 150.41 39.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 60.42 111.171 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.4 t -143.09 135.82 27.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.57 129.79 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 64.32 110.875 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -137.01 130.66 31.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 21.7 t -136.29 141.17 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 74.52 110.868 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.12 139.82 27.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.889 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -133.5 131.8 40.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 71.54 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.403 ' O ' HD23 ' B' ' 14' ' ' LEU . 5.4 tt -122.94 121.74 36.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 73.44 110.896 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.61 125.44 38.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.833 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.2 m -136.05 126.44 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 51.11 110.81 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -129.63 134.97 47.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 72.33 110.814 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -132.28 123.57 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.896 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.5 125.15 48.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 72.15 111.146 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -132.12 124.75 29.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.968 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -121.94 135.33 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 73.43 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -125.96 132.86 51.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.3 t -147.13 122.35 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 55.24 111.134 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.86 138.09 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.934 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -137.34 136.5 38.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.878 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.51 HD12 ' N ' ' B' ' 27' ' ' MET . 5.1 tp -135.38 128.97 32.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.442 . . . . 75.51 110.93 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . 0.51 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.0 OUTLIER -126.26 151.01 48.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.882 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -164.79 171.66 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 70.24 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 61.1 111.161 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.826 0.346 . . . . 72.21 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -132.6 143.79 49.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 51.54 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . 0.521 ' NE2' HD22 ' K' ' 126' ' ' LEU . 0.9 OUTLIER -158.7 135.9 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 63.01 110.908 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 127.89 4.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 55.02 112.48 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.26 124.75 43.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 71.15 111.141 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -126.47 112.44 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.11 110.865 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.3 144.43 49.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 70.32 111.132 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.673 ' HA ' HG12 ' K' ' 123' ' ' VAL . 10.0 t -142.97 134.76 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.866 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.16 121.5 18.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.847 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -130.94 123.89 29.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.928 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -134.59 143.78 47.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 64.41 110.875 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.5 OUTLIER -150.6 142.84 24.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.872 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -140.18 129.78 24.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 42.21 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' C' ' 12' ' ' LYS . 1.9 mp -119.32 125.01 48.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 64.04 110.906 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -126.18 123.6 38.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.3 110.838 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 38.4 m -134.63 129.02 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.813 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.466 ' HE ' HD11 ' L' ' 114' ' ' LEU . 0.2 OUTLIER -135.48 139.97 44.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.919 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -133.16 137.05 46.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.853 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.91 136.36 50.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.14 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.87 133.88 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.962 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -132.95 129.02 37.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.68 125.73 34.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.93 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.56 135.37 53.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 61.25 111.145 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.99 121.63 11.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.868 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.77 129.14 55.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 74.24 110.877 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.677 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -135.61 126.15 26.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.925 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . 0.521 ' N ' HD22 ' C' ' 26' ' ' LEU . 0.0 OUTLIER -141.49 129.74 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.905 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -160.28 147.17 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.858 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.81 HG23 ' HA ' ' K' ' 101' ' ' HIS . 1.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 65.11 111.096 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.84 0.353 . . . . 75.44 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . 0.618 ' HB3' HG23 ' L' ' 129' ' ' THR . 1.4 t -132.72 143.68 49.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.826 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -154.14 131.66 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.35 110.94 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.12 128.64 4.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.779 -0.724 . . . . 45.23 112.519 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -123.95 121.27 34.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 72.45 111.098 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -130.47 113.18 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.831 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.78 145.11 43.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 61.32 111.108 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.423 ' HA ' HG12 ' J' ' 123' ' ' VAL . 10.0 t -137.79 135.1 35.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 74.45 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.71 120.66 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.958 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -129.67 124.07 32.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 70.4 110.835 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -132.94 142.08 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 64.4 110.829 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . 0.567 ' NZ ' HD11 ' D' ' 14' ' ' LEU . 0.5 OUTLIER -149.7 143.45 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.933 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -139.64 129.67 25.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.973 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.719 HD13 ' CD ' ' L' ' 117' ' ' ARG . 1.9 mp -119.73 122.05 40.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.928 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -128.21 123.1 33.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.809 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 38.6 m -134.66 129.46 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.31 110.877 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.11 136.53 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 72.21 110.928 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 73.9 mtm-85 -135.12 137.6 42.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.82 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.498 ' HB2' ' HZ1' ' L' ' 112' ' ' LYS . . . -128.49 134.23 48.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 74.43 111.133 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.36 135.06 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 51.44 110.913 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -134.08 130.26 37.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.91 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -128.44 124.67 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 64.44 110.901 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . 0.538 HG13 ' HE1' ' L' ' 106' ' ' PHE . 42.7 t -135.6 135.29 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 64.24 111.126 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.16 119.72 11.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 72.4 111.0 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' L' ' 106' ' ' PHE . 0.0 OUTLIER -120.47 127.15 51.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.26 -0.427 . . . . 70.32 110.89 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.536 HD13 ' C ' ' D' ' 26' ' ' LEU . 2.9 tm? -136.68 132.15 34.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.24 110.955 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . 0.508 ' N ' HD22 ' D' ' 26' ' ' LEU . 0.0 OUTLIER -140.41 129.44 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.859 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -162.01 147.94 13.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 75.02 110.92 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 65.05 111.235 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.812 0.339 . . . . 64.51 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -137.78 147.3 44.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 45.2 110.856 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.437 HE22 HD21 ' N' ' 126' ' ' LEU . 1.7 pt20 -167.94 134.92 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 71.14 110.943 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.99 126.16 5.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.766 -0.731 . . . . 60.05 112.481 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -128.97 120.04 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 63.45 111.116 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -125.54 111.93 15.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.849 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -120.89 141.45 50.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.03 111.06 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.62 ' HA ' HG12 ' M' ' 123' ' ' VAL . 5.8 t -134.96 135.07 41.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 72.42 110.855 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.01 123.24 21.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.826 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -132.56 119.13 20.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 63.34 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -129.44 138.51 51.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 75.3 110.805 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -144.04 142.56 30.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -138.82 131.24 28.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 75.05 110.871 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.3 120.95 41.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 75.22 110.854 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -120.68 122.17 39.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.879 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.84 130.39 37.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.879 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.552 ' NH1' HD13 ' M' ' 114' ' ' LEU . 8.3 ptm180 -132.69 137.32 46.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -133.55 136.77 45.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.804 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.35 134.92 48.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 75.44 111.066 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -132.96 130.7 39.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 72.41 110.9 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.85 132.97 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 54.35 110.902 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -131.56 131.31 43.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.861 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . 0.498 HG13 ' HE1' ' K' ' 106' ' ' PHE . 20.8 t -137.63 125.11 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 71.53 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.52 124.69 27.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 74.03 110.95 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.04 131.26 56.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 70.32 110.888 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.06 122.78 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 73.25 110.909 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 130.9 51.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.85 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -159.48 128.95 5.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.909 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . 0.632 HG21 ' CD2' ' M' ' 101' ' ' HIS . 97.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 74.13 111.124 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.818 0.342 . . . . 73.14 110.831 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -137.39 149.48 46.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.91 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -159.15 129.71 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.67 128.57 5.56 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.78 -0.724 . . . . 63.31 112.532 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . 0.943 HG22 HD23 ' N' ' 126' ' ' LEU . 10.6 p -123.68 118.51 27.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 65.14 111.192 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -127.18 112.54 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.879 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -119.04 137.9 53.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.13 111.141 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.8 t -133.35 135.56 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 62.22 110.857 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -140.37 121.56 14.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 64.31 110.881 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -129.94 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.96 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -127.56 136.67 52.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 64.23 110.857 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 12.6 ptmt -143.41 143.24 31.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 54.24 110.952 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.79 125.43 20.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 60.22 110.864 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.55 122.7 46.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 71.32 110.949 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -124.53 122.51 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.899 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -131.68 128.78 39.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 62.21 110.875 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . 0.481 ' NH1' HD13 ' L' ' 114' ' ' LEU . 7.4 ptm180 -132.21 136.1 46.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.42 110.837 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.77 136.96 46.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.852 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.16 134.55 47.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 54.43 111.06 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -133.02 132.31 41.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 74.44 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -134.87 134.65 40.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 50.02 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.7 130.57 44.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.918 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.83 123.67 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 74.15 111.12 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 121.11 18.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.942 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.43 130.4 55.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.854 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.531 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -132.67 124.24 27.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 50.02 110.851 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.47 128.81 48.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.856 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -160.63 130.33 5.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.15 110.935 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . 0.617 ' HG1' ' N ' ' L' ' 101' ' ' HIS . 96.9 m . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.51 111.113 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 73.11 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.92 145.06 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.833 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -165.01 139.42 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.927 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . 0.412 ' HA3' ' HE1' ' O' ' 127' ' ' MET . . . -132.88 130.79 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 64.21 112.462 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 10.9 p -124.38 122.63 38.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 41.32 111.205 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -127.73 113.31 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.902 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -125.4 146.42 49.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 70.32 111.094 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.608 ' HA ' HG12 ' O' ' 123' ' ' VAL . 13.5 t -141.19 135.14 30.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.4 110.918 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.02 126.5 25.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.1 -0.5 . . . . 73.51 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -137.26 119.89 16.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.906 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -132.71 130.86 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 72.4 110.872 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.33 145.73 49.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 71.43 110.916 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -139.96 137.39 34.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 73.31 110.897 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -129.03 128.68 44.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.947 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -129.34 123.31 31.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.855 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.32 123.11 27.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.11 110.859 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -124.37 136.85 54.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.854 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.97 43.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.838 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 72.22 111.079 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -126.33 126.97 44.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.935 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -132.25 120.24 21.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 71.03 110.828 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -118.89 126.88 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.866 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.12 123.13 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 72.15 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -131.13 124.55 30.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.22 110.948 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 131.2 56.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 71.51 110.885 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.478 HD13 ' C ' ' G' ' 26' ' ' LEU . 2.6 tm? -131.84 117.4 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.882 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 19.1 mtm -116.01 130.51 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 55.31 110.867 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -164.56 132.62 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 64.53 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . 0.445 HG23 ' HB3' ' M' ' 102' ' ' SER . 5.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 74.01 111.112 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.799 0.333 . . . . 71.04 110.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.67 147.02 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.54 110.827 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.47 134.63 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.04 133.41 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 64.03 112.545 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . 0.532 HG22 HD12 ' P' ' 126' ' ' LEU . 12.5 p -120.79 121.73 38.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 74.12 111.106 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -125.93 115.73 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.22 110.861 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m -121.02 146.85 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.23 111.118 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 13.5 t -136.86 135.31 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 72.04 110.85 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -138.21 124.39 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.05 110.833 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -135.21 118.85 17.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.875 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 20.7 t -129.68 132.14 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 31.35 110.804 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -134.0 145.62 49.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.874 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -138.93 132.7 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.874 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mp -128.76 127.54 42.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 62.14 110.96 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -131.92 122.85 26.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.846 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.01 123.39 34.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 61.14 110.866 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -125.4 133.13 52.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.15 110.806 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.49 132.59 42.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 63.01 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.05 128.08 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 71.23 111.1 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -123.88 128.07 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 62.42 110.901 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -132.85 119.53 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 73.4 110.822 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -117.65 127.98 54.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.884 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -132.01 122.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 65.03 111.133 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.75 121.05 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.902 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.15 55.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.918 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.455 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.2 tm? -131.99 115.73 16.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.895 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . 0.441 ' N ' HD22 ' H' ' 26' ' ' LEU . 17.1 mtm -116.32 128.55 55.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.878 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -165.05 132.81 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.13 110.864 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.621 HG23 ' HA ' ' P' ' 102' ' ' SER . 5.4 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 65.22 111.176 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.753 0.311 . . . . 64.45 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 32.4 p -164.66 149.67 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.01 110.86 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.44 127.12 55.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.33 110.924 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -138.96 137.98 9.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.76 . . . . 53.32 112.507 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 26' ' ' LEU . 10.7 t -130.87 136.04 48.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.741 0.305 . . . . 73.32 111.198 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -134.39 125.91 28.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.911 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 3.1 t -129.96 121.8 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 73.43 111.129 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 95.0 p -136.93 145.17 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.885 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -147.14 143.73 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 51.21 110.839 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -132.78 129.14 38.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.54 110.973 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 5.2 p -125.92 134.73 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.22 110.829 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' I' ' 114' ' ' LEU . 1.0 OUTLIER -136.24 128.33 29.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 63.41 110.877 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -125.19 122.63 37.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 42.1 110.908 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.697 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -119.86 124.53 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.923 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -132.5 112.79 12.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.947 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.63 129.34 40.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.802 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 135.71 40.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 74.12 110.898 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.05 139.99 53.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 63.04 110.847 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.8 123.66 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 65.44 111.143 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.97 128.34 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 64.12 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -138.15 127.97 25.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.856 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -144.41 145.42 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 64.12 110.909 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 8' ' ' SER . 25.2 m -139.1 160.95 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.107 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.13 136.43 47.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 73.05 110.92 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -135.28 115.43 13.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.913 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' J' ' 126' ' ' LEU . 6.6 tt -120.44 132.55 55.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.1 110.964 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -132.02 125.54 31.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 70.44 110.896 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.02 139.06 49.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 65.22 110.916 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.167 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 75.31 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 31.7 p -164.86 149.53 9.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 53.43 110.844 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.08 126.28 54.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.88 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -137.44 136.53 8.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 74.24 112.445 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 6.2 t -130.67 135.5 47.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 64.31 111.095 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -134.05 126.12 29.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 63.25 110.764 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.8 t -128.31 123.13 33.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 73.22 111.13 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 91.8 p -136.95 139.92 41.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.853 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -150.08 145.32 26.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.892 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.91 127.8 39.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 75.14 110.951 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 5.3 p -125.2 134.1 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 64.41 110.858 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.719 ' HE3' HD12 ' J' ' 114' ' ' LEU . 0.8 OUTLIER -137.49 128.68 27.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.897 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -124.08 120.67 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.1 110.953 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.719 HD12 ' HE3' ' J' ' 112' ' ' LYS . 0.2 OUTLIER -121.91 123.28 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 53.1 110.945 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -132.42 112.71 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.863 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -131.31 128.53 39.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 53.15 110.809 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 135.4 37.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.908 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.23 139.78 53.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.836 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.14 124.06 21.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 73.03 111.039 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.72 127.7 37.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.983 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -138.22 130.8 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 72.01 110.846 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -142.78 141.15 31.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' D' ' 8' ' ' SER . 26.2 m -139.75 155.9 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 64.23 111.066 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . 0.555 ' HB2' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -136.86 139.03 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 71.2 110.976 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -131.32 115.8 16.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 70.25 110.907 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.995 HD13 HD13 ' I' ' 126' ' ' LEU . 7.5 tt -119.1 132.87 56.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 73.31 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 18.6 mmt -130.18 130.17 44.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.846 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.32 137.07 50.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 42.1 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.126 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . 0.81 ' HA ' HG23 ' C' ' 29' ' ' THR . 71.2 m-70 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 74.54 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 13.7 t -122.44 143.89 49.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.15 110.813 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.79 130.51 54.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 75.21 110.939 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.495 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -134.89 136.63 8.68 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 73.3 112.488 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.677 ' HB ' HD23 ' C' ' 26' ' ' LEU . 5.9 t -139.62 141.44 37.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.896 0.379 . . . . 75.2 111.12 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . 0.498 ' HE1' HG13 ' E' ' 23' ' ' VAL . 4.6 t80 -140.99 125.94 18.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 73.4 110.904 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 16.1 p -121.4 131.84 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 71.51 111.136 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 130.82 23.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 61.42 110.882 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -135.94 139.41 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 54.13 110.828 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -135.29 141.57 45.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 73.41 110.964 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.14 134.64 34.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 63.01 110.807 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.92 129.08 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.493 . . . . 73.04 110.885 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.48 120.22 29.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 72.21 110.886 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.01 121.55 36.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.889 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 110.89 10.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 63.53 110.913 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -131.85 124.98 30.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.847 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.504 HH21 ' HB2' ' K' ' 119' ' ' ALA . 5.1 ptm180 -134.97 134.54 40.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.917 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.6 143.14 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.839 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . 0.504 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -141.97 123.45 14.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 71.24 111.136 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -132.91 129.74 38.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.03 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -137.54 122.76 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.814 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -136.85 142.62 42.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.903 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.673 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -140.34 153.26 21.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 44.51 111.103 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.44 135.08 49.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 65.13 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -131.22 109.79 10.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.945 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' L' ' 126' ' ' LEU . 8.8 tt -113.75 125.81 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 62.43 110.901 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 26.2 mmt -125.17 123.6 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.863 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.11 136.65 50.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.303 -0.408 . . . . 72.04 110.92 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.122 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . 0.617 ' N ' ' HG1' ' F' ' 29' ' ' THR . 71.4 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.759 0.314 . . . . 71.5 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 13.8 t -122.19 144.18 49.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 64.04 110.892 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.0 125.87 52.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.878 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.531 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -137.36 135.86 7.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.749 . . . . 72.55 112.486 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.47 HG23 ' HB3' ' D' ' 26' ' ' LEU . 5.0 t -138.25 139.76 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 75.32 111.116 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . 0.538 ' HE1' HG13 ' D' ' 23' ' ' VAL . 2.1 t80 -142.74 126.01 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 75.53 110.862 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 13.7 p -122.15 132.88 54.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 71.32 111.106 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.47 125.82 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 62.25 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -138.91 142.99 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.905 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -133.42 141.98 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 73.43 110.964 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.05 135.42 41.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 52.33 110.85 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.498 ' HZ1' ' HB2' ' D' ' 19' ' ' ALA . 0.3 OUTLIER -130.39 129.51 43.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 51.22 110.889 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -125.01 120.26 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.481 HD13 ' NH1' ' F' ' 17' ' ' ARG . 0.1 OUTLIER -124.82 120.89 32.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 72.45 110.889 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.98 110.6 10.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.859 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 2.3 p -130.49 125.56 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.719 ' CD ' HD13 ' D' ' 14' ' ' LEU . 5.4 ptm180 -135.03 135.24 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.807 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.4 143.05 49.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.914 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . 0.42 ' HB2' HH21 ' L' ' 117' ' ' ARG . . . -141.0 125.25 17.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 73.43 111.053 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -134.18 128.37 33.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -138.23 126.49 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 72.51 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -135.92 140.16 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 71.32 110.932 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.21 150.09 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 73.14 111.15 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.48 136.57 46.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -127.56 110.11 12.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.96 HD13 HD13 ' K' ' 126' ' ' LEU . 9.7 tt -114.55 125.17 53.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 71.45 110.922 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 26.1 mmt -125.82 127.85 46.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 75.44 110.905 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.07 133.91 51.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . 0.618 HG23 ' HB3' ' D' ' 2' ' ' SER . 14.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 54.11 111.19 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . 0.632 ' CD2' HG21 ' E' ' 29' ' ' THR . 25.9 t-80 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.826 0.346 . . . . 72.11 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . 0.445 ' HB3' HG23 ' G' ' 29' ' ' THR . 80.1 p -133.8 163.8 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.952 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.15 127.35 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 73.41 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.15 138.99 10.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 75.2 112.445 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 17.1 m -136.11 130.09 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 71.24 111.169 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -128.49 117.76 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.858 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.95 119.24 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.166 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.71 132.51 43.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.904 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -136.73 142.71 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -138.17 137.47 37.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.952 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.13 138.11 36.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.41 110.873 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 133.14 39.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.953 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -132.92 121.79 23.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.956 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.552 HD13 ' NH1' ' E' ' 17' ' ' ARG . 0.1 OUTLIER -126.52 122.53 35.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.909 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -128.22 111.61 13.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 71.13 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.49 121.57 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 73.43 110.909 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 139.96 53.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.89 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptp85 -127.47 136.86 52.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 63.22 110.886 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -140.32 122.92 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 70.51 111.114 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -132.71 126.88 33.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.25 110.85 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -134.98 120.57 19.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.943 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -135.99 142.74 44.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.89 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.62 HG12 ' HA ' ' E' ' 8' ' ' SER . 4.1 m -141.58 149.2 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 72.53 111.122 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -124.36 131.26 53.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -128.64 109.21 11.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.937 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.745 HD13 ' O ' ' M' ' 126' ' ' LEU . 0.3 OUTLIER -116.39 115.13 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.965 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . 0.745 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.9 OUTLIER -116.84 122.24 43.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.83 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -123.76 137.5 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 62.13 110.837 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 73.25 111.1 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 74.24 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 80.1 p -134.17 163.64 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.52 110.85 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -102.99 125.63 49.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 70.22 110.9 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -128.81 138.28 10.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.798 -0.715 . . . . 54.03 112.467 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 16.7 m -134.3 128.97 34.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 73.02 111.113 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -129.79 116.82 19.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.17 119.3 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.34 111.162 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.02 130.24 43.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.827 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.79 142.91 40.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.895 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -139.58 135.57 33.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 50.54 110.926 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -139.24 138.28 36.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.35 110.836 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 134.24 36.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 63.33 110.921 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -130.66 125.01 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.29 122.33 35.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.831 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.88 114.54 15.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 72.55 110.863 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.32 121.61 31.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.85 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.05 140.65 52.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 64.21 110.877 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -128.38 141.09 51.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 70.41 110.843 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -140.09 122.32 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 51.12 111.064 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.01 125.93 32.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.881 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -138.8 118.95 13.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 72.41 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -136.25 142.36 43.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 70.1 110.836 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 8.6 m -142.3 145.82 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 75.12 111.145 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -127.54 131.17 50.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 64.35 110.928 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -126.84 108.53 11.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.02 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.943 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.36 117.36 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 62.42 110.923 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . 0.627 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.9 OUTLIER -118.14 128.36 54.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 71.52 110.868 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.12 134.66 55.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 63.42 110.901 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.12 111.135 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 65.4 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 91.0 p -118.73 178.27 4.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.42 110.845 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.7 134.16 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 62.35 110.898 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.49 139.32 10.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 62.3 112.475 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.419 HG23 HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -134.17 124.7 26.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 74.43 111.093 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -125.48 120.3 30.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 62.41 110.878 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 116.19 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 75.32 111.072 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.88 124.22 36.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.855 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.55 127.68 41.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 73.21 110.907 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -126.81 127.4 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.912 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.37 134.5 45.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 65.31 110.83 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -131.02 128.89 41.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 71.4 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -128.24 116.58 20.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.925 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.99 124.29 44.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 43.51 110.951 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -130.74 109.95 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.856 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -127.08 124.56 39.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 64.14 110.866 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' O' ' 119' ' ' ALA . 2.5 ptm180 -137.7 145.99 43.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.73 146.23 41.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 70.12 110.832 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . 0.464 ' HB2' ' NH2' ' O' ' 117' ' ' ARG . . . -138.78 123.28 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 74.35 111.147 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -123.36 122.33 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 64.51 110.871 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -131.55 118.96 20.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.897 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -136.68 142.62 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.901 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' G' ' 8' ' ' SER . 6.2 m -142.01 154.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.42 111.134 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -131.42 134.76 46.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 110.44 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.45 110.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' P' ' 126' ' ' LEU . 1.6 tt -117.02 129.64 56.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.287 -0.415 . . . . 72.23 110.92 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.412 ' HE1' ' HA3' ' G' ' 4' ' ' GLY . 2.0 mmt -125.0 124.13 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.86 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.82 137.38 53.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 64.51 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.32 111.162 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.806 0.336 . . . . 73.35 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . 0.621 ' HA ' HG23 ' H' ' 29' ' ' THR . 91.0 p -118.45 178.77 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.855 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.25 133.45 54.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.944 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.4 139.13 10.6 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.781 -0.724 . . . . 44.14 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.61 126.69 37.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 64.22 111.128 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -126.42 118.73 25.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.45 110.818 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.86 116.14 25.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.04 111.162 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.21 125.64 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 44.0 110.843 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.48 127.65 41.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 71.54 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -125.81 127.78 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.897 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.37 134.3 43.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 54.11 110.826 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -131.89 128.57 38.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 73.41 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -130.69 115.0 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.248 -0.433 . . . . 64.54 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.77 125.5 48.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 74.44 110.953 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.09 109.58 10.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 65.34 110.838 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 10.4 p -123.44 128.38 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.8 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . 0.451 ' NH2' ' HB2' ' P' ' 119' ' ' ALA . 2.7 ptm180 -137.52 146.97 44.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 71.21 110.887 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 147.76 45.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 63.21 110.847 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . 0.451 ' HB2' ' NH2' ' P' ' 117' ' ' ARG . . . -139.61 123.35 17.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 62.42 111.121 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -125.12 122.2 36.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.866 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -134.39 118.31 17.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 53.31 110.968 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -137.31 142.28 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 53.21 110.951 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 13.4 m -143.26 152.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 54.55 111.108 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -132.79 133.91 44.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.928 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.42 112.5 11.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.244 -0.435 . . . . 74.53 110.926 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.966 HD13 HD13 ' O' ' 126' ' ' LEU . 1.3 tt -117.6 130.72 56.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 63.44 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.2 mmt -124.72 125.64 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.889 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.69 138.12 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 70.32 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 71.54 111.123 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.752 0.311 . . . . 63.31 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -149.06 150.66 33.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 54.25 110.88 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.62 ' OE1' HD11 ' I' ' 126' ' ' LEU . 0.0 OUTLIER -169.01 135.76 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.965 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.53 126.27 5.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 64.52 112.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 p -130.47 119.23 22.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.35 . . . . 65.12 111.106 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -123.14 112.37 17.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 65.02 110.908 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 142.81 46.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.188 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.6 t -134.7 134.75 41.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 54.54 110.876 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -135.34 124.01 23.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 74.04 110.814 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -133.41 128.17 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t -137.75 131.08 30.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 65.33 110.845 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -140.07 132.9 29.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.4 110.944 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -133.35 139.38 46.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.942 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.3 OUTLIER -129.85 132.21 46.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.972 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -135.3 122.55 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 75.53 110.823 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -129.86 127.62 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.927 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' CZ ' HD11 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -133.17 149.29 52.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 72.35 110.853 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -147.89 137.19 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 65.11 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.15 142.96 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 35.14 111.145 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.04 127.1 37.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.915 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -122.44 113.35 19.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -116.08 122.08 44.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 72.02 110.943 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 63.4 t -136.19 117.8 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.23 111.175 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -129.56 132.84 46.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -131.37 131.76 43.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.899 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' I' ' 104' ' ' GLY . 17.0 tp -127.9 137.15 52.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 63.02 110.9 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 3.2 ptp -133.05 130.5 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 71.21 110.863 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -148.54 166.09 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.917 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.519 ' HG1' ' N ' ' I' ' 101' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 74.24 111.079 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.791 0.329 . . . . 62.35 110.835 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -147.81 153.13 38.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 64.23 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.28 131.18 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.473 . . . . 75.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.41 130.55 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 64.32 112.509 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.992 HG22 HD23 ' J' ' 126' ' ' LEU . 13.2 p -125.22 117.36 23.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.797 0.332 . . . . 54.21 111.129 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -126.05 114.22 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.887 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.33 140.75 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 60.42 111.096 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -133.61 134.93 43.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 72.1 110.886 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -139.37 123.52 17.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 64.32 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.83 129.96 41.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.955 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 44.3 t -135.77 132.26 36.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 74.52 110.817 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -138.39 135.11 34.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 74.13 110.867 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -131.03 137.16 49.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.945 0.402 . . . . 71.54 110.936 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.84 131.69 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 73.44 110.92 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -134.64 122.66 22.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 73.35 110.833 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -128.83 127.67 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 51.11 110.848 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 147.08 52.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 72.33 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -151.13 137.12 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.896 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.55 ' HB2' ' NZ ' ' J' ' 112' ' ' LYS . . . -127.02 141.59 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 72.15 111.131 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.12 128.05 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 63.23 110.897 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.67 115.56 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.803 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -113.68 121.07 42.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.51 110.887 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 63.3 t -137.12 117.97 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 55.24 111.148 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -128.62 133.98 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.33 110.92 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -130.09 130.7 45.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 74.12 110.977 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 27' ' ' MET . 17.1 tp -129.21 136.09 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.935 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . 0.462 ' N ' HD12 ' B' ' 26' ' ' LEU . 3.2 ptp -135.5 130.6 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.876 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -147.7 165.93 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 70.24 110.851 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 61.1 111.143 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.82 0.343 . . . . 72.21 110.879 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.05 144.46 49.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.54 110.826 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . 0.707 ' OE1' HG23 ' C' ' 5' ' ' THR . 0.3 OUTLIER -161.4 135.09 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 63.01 110.87 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.59 127.79 4.95 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.686 -0.768 . . . . 55.02 112.45 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.707 HG23 ' OE1' ' C' ' 3' ' ' GLN . 10.0 p -123.3 126.01 46.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 71.15 111.133 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.41 117.52 19.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.73 148.25 51.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.094 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.631 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.8 t -143.42 135.41 26.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.889 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.33 124.14 19.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 72.12 110.806 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -136.63 125.34 23.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.942 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 36.9 t -130.08 135.81 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.868 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.95 129.91 38.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -129.04 125.32 37.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 42.21 110.99 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -123.21 120.85 34.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.09 -0.504 . . . . 64.04 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -126.11 123.03 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 72.3 110.893 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -127.84 121.53 30.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.12 110.875 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.491 ' NH1' HD21 ' L' ' 114' ' ' LEU . 2.7 ptm180 -124.16 135.45 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.53 110.869 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 138.38 46.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.911 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . 0.58 ' HB2' ' HZ1' ' I' ' 112' ' ' LYS . . . -130.96 142.09 50.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.106 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -141.88 134.79 28.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.896 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.97 134.86 40.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.862 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -132.28 127.24 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.91 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 t -138.54 118.59 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 61.25 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -129.13 123.81 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.924 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -118.47 131.57 56.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.61 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -123.65 134.05 53.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.55 110.944 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 4.4 ptp -131.18 131.7 44.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.87 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.08 131.41 3.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.857 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.627 HG23 ' O ' ' I' ' 101' ' ' HIS . 91.1 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 65.11 111.164 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.767 0.318 . . . . 75.44 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.78 145.38 48.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.872 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . 0.417 ' OE1' HG23 ' D' ' 5' ' ' THR . 0.4 OUTLIER -156.86 130.74 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.35 110.951 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.07 4.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 45.23 112.47 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . 0.417 HG23 ' OE1' ' D' ' 3' ' ' GLN . 13.7 p -121.57 124.14 43.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 72.45 111.17 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.9 120.82 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 64.24 110.862 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . 0.553 HG23 ' HB2' ' L' ' 124' ' ' GLN . 0.2 OUTLIER -123.37 147.51 46.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.15 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.573 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.7 t -138.3 134.76 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.45 110.795 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.28 122.02 13.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 75.34 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -135.51 124.41 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 70.4 110.888 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 37.1 t -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 64.4 110.854 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -132.08 131.23 42.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -126.15 121.01 31.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 74.31 110.886 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.812 HD12 ' HD3' ' L' ' 117' ' ' ARG . 5.3 mt -122.75 120.28 33.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.905 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -126.81 122.88 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.886 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -126.16 121.07 31.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.832 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -125.52 134.73 51.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 72.21 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 139.27 45.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.855 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.592 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -129.87 142.11 50.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.142 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -140.3 135.62 32.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 51.44 110.884 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -134.38 135.9 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -130.54 126.88 37.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.805 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -139.4 117.9 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 64.24 111.171 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -131.02 120.1 22.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.864 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . 0.411 ' CZ2' ' HB3' ' D' ' 27' ' ' MET . 21.4 t-105 -119.88 129.14 54.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 70.32 110.878 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.582 HD23 ' O ' ' J' ' 104' ' ' GLY . 0.5 OUTLIER -125.87 135.23 51.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.965 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . 0.411 ' HB3' ' CZ2' ' D' ' 25' ' ' TRP . 4.4 ptp -133.04 129.24 37.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.882 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -163.19 131.23 3.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 75.02 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . 0.665 HG23 ' O ' ' L' ' 101' ' ' HIS . 91.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 65.05 111.172 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.785 0.326 . . . . 64.51 110.905 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -146.59 156.81 43.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 45.2 110.914 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.703 HE22 HG23 ' E' ' 5' ' ' THR . 0.0 OUTLIER -162.15 167.02 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 71.14 110.877 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.23 127.87 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.534 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.703 HG23 HE22 ' E' ' 3' ' ' GLN . 29.8 p -125.62 118.82 26.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.791 0.329 . . . . 63.45 111.159 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -125.46 112.3 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 75.24 110.903 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.49 146.91 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 72.03 111.14 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.618 ' HA ' HG12 ' M' ' 123' ' ' VAL . 4.7 t -140.87 135.1 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.834 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.03 120.54 18.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.057 -0.52 . . . . 72.35 110.797 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -129.87 121.36 26.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.937 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 46.6 t -131.8 140.11 49.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.074 -0.512 . . . . 75.3 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.68 140.82 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.53 110.906 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -132.48 136.64 46.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.05 110.898 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.89 117.96 26.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 75.22 110.964 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -118.31 122.4 42.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 64.23 110.845 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 10.3 m -132.75 123.52 26.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.823 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.523 ' HD3' HD11 ' N' ' 114' ' ' LEU . 7.1 ptm180 -129.31 143.28 50.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.855 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.98 136.12 40.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.869 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . 0.455 ' HB2' HH22 ' E' ' 17' ' ' ARG . . . -124.61 135.49 53.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.44 111.114 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.81 124.6 22.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 72.41 110.921 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.45 118.11 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 54.35 110.87 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.69 124.8 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 t -137.05 119.3 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 71.53 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . 0.729 ' HG3' HG22 ' M' ' 107' ' ' THR . 1.1 tm0? -153.02 136.77 16.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.956 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . 0.449 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.0 p-90 -140.32 142.98 35.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.255 -0.429 . . . . 70.32 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.711 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -122.41 129.58 52.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 73.25 110.956 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.461 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.4 ptt? -123.15 131.95 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.3 110.884 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -164.65 147.48 8.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 73.34 110.84 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.13 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.774 0.321 . . . . 73.14 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -146.49 157.94 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.42 110.855 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . 0.691 HE22 HG23 ' F' ' 5' ' ' THR . 0.0 OUTLIER -158.27 161.63 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.946 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 128.49 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 63.31 112.527 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . 0.691 HG23 HE22 ' F' ' 3' ' ' GLN . 29.9 p -122.4 118.5 28.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.793 0.33 . . . . 65.14 111.137 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -123.94 114.16 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 73.13 110.857 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.87 146.09 47.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.474 . . . . 73.13 111.133 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.621 ' HA ' HG12 ' L' ' 123' ' ' VAL . 4.6 t -138.37 135.51 35.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 62.22 110.884 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.55 118.6 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.882 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.14 120.38 27.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 75.13 110.961 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 46.9 t -130.39 138.72 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 64.23 110.839 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.468 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 0.0 OUTLIER -145.08 140.95 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 54.24 110.918 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -132.29 134.08 44.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 60.22 110.878 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.7 115.87 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 71.32 110.825 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -120.76 122.44 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.873 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 10.4 m -132.27 122.79 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 62.21 110.805 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -130.27 141.73 50.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 74.42 110.896 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.43 136.34 36.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.831 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.47 135.55 52.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 54.43 111.08 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -136.21 125.83 25.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.881 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -131.89 119.82 21.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 50.02 110.823 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -112.46 124.54 52.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.926 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -137.73 121.39 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 74.15 111.153 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . 0.408 ' HB2' HG23 ' L' ' 107' ' ' THR . 1.5 tm0? -152.34 133.88 14.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.908 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -137.83 139.82 40.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.973 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.678 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.2 tm? -122.12 128.12 50.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 50.02 110.913 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -123.04 129.51 51.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.881 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -165.74 147.56 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.827 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 73.51 111.065 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.767 0.318 . . . . 73.11 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . 0.527 ' CB ' HG23 ' O' ' 129' ' ' THR . 1.4 p -143.24 149.03 37.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.895 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . 0.608 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -152.22 140.82 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 73.14 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . 0.428 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -133.45 129.45 5.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 64.21 112.4 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.1 p -122.09 121.65 37.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.801 0.334 . . . . 41.32 111.215 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -126.24 113.25 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.863 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.77 145.81 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 70.32 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.615 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.9 t -139.45 135.64 33.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.821 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.77 118.23 14.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 73.51 110.859 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -131.49 123.8 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.952 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 42.7 t -133.74 150.21 51.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -155.24 145.95 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 71.43 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . 0.42 ' HB3' ' HD3' ' O' ' 118' ' ' ARG . 46.5 t80 -144.55 141.12 29.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.417 ' N ' HD12 ' G' ' 14' ' ' LEU . 3.1 mp -127.07 128.1 45.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 72.3 110.915 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -125.39 122.92 38.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.927 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 24.0 p -134.5 138.09 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 65.11 110.816 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -141.51 134.44 28.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 73.03 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.63 126.64 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.885 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.92 141.3 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 72.22 111.067 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -140.69 123.86 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -128.19 136.44 51.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.03 110.88 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.92 136.44 48.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.88 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -146.23 117.71 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.16 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.25 138.13 23.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.22 110.919 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . 0.406 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 4.1 p-90 -141.26 143.96 34.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 71.51 110.94 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.641 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.0 tm? -121.02 128.52 52.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 74.22 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' O' ' 104' ' ' GLY . 0.0 OUTLIER -121.11 130.16 53.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 55.31 110.896 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.47 177.08 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 64.53 110.848 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . 0.447 HG21 ' CD2' ' O' ' 101' ' ' HIS . 14.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.01 111.157 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 p-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.803 0.335 . . . . 71.04 110.842 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -143.03 148.5 36.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 73.54 110.908 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.55 135.19 19.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 74.11 110.967 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 128.55 4.27 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 64.03 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 11.1 p -120.56 120.05 34.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 74.12 111.115 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -124.95 114.89 19.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 63.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . 0.492 HG23 ' CB ' ' P' ' 124' ' ' GLN . 0.2 OUTLIER -125.19 145.48 49.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.187 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.8 t -136.04 135.11 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 72.04 110.86 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.43 115.22 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.864 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -130.49 124.57 32.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 72.52 110.906 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 42.8 t -131.59 148.78 52.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 31.35 110.797 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . 0.575 ' CE ' HD11 ' H' ' 14' ' ' LEU . 14.8 ptmt -151.26 147.07 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 72.2 110.888 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -143.63 136.29 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 71.43 110.872 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.622 HD13 HH11 ' P' ' 117' ' ' ARG . 4.6 mp -127.74 126.27 41.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.081 -0.509 . . . . 62.14 110.914 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -128.7 122.63 31.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.931 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 24.2 p -131.28 137.2 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 61.14 110.851 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -141.38 130.09 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.28 124.96 29.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 63.01 110.828 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . 0.505 ' HB2' ' CD ' ' P' ' 112' ' ' LYS . . . -121.32 140.62 51.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.152 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -138.37 123.91 19.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 62.42 110.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.8 138.6 53.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.904 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.07 136.71 51.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.931 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -145.9 117.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 65.03 111.114 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.67 136.16 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 74.52 110.931 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . 0.404 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 3.5 p-90 -146.84 138.69 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 71.52 110.909 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.658 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.5 tm? -120.16 127.58 52.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.924 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . 0.404 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 0.0 OUTLIER -124.07 128.54 49.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.856 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -165.13 177.55 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 64.13 110.88 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.602 HG21 ' CD2' ' N' ' 101' ' ' HIS . 14.6 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 65.22 111.115 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . 0.627 ' O ' HG23 ' C' ' 29' ' ' THR . 39.0 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 64.45 110.8 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.6 p -164.22 144.17 7.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 72.01 110.852 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.33 127.4 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 63.33 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.36 138.74 10.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 53.32 112.476 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.562 ' OG1' HD13 ' A' ' 26' ' ' LEU . 14.5 m -133.61 123.53 25.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 73.32 111.153 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -122.83 115.91 22.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.888 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 85.8 m -117.21 119.78 36.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 73.43 111.184 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.02 127.72 45.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.24 110.817 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.98 130.55 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 51.21 110.852 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -127.09 129.09 47.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.905 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 18.7 m -119.58 134.68 55.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 74.22 110.845 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . 0.58 ' HZ1' ' HB2' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -129.2 128.04 42.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 63.41 110.913 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -133.18 125.05 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 42.1 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -134.08 134.29 42.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.924 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.02 118.58 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.01 110.866 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 58.3 m -126.49 138.72 53.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 64.33 110.803 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . 0.453 ' HB2' HD12 ' A' ' 14' ' ' LEU . 7.5 ptm180 -139.82 140.09 36.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 74.12 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -129.0 128.49 43.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.04 110.825 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . 0.425 ' HB2' HH22 ' I' ' 117' ' ' ARG . . . -130.5 123.55 29.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.44 111.133 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -135.13 128.25 31.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.283 -0.417 . . . . 64.12 110.928 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -138.05 127.8 25.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.22 110.816 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -143.22 146.94 34.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 64.12 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -142.63 156.13 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.5 111.098 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -131.76 129.39 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 73.05 110.845 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -125.47 109.33 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 71.34 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.756 HD22 ' N ' ' I' ' 127' ' ' MET . 0.3 OUTLIER -114.73 114.92 26.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.284 -0.417 . . . . 73.1 110.912 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . 0.756 ' N ' HD22 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -118.31 122.02 41.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 70.44 110.871 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.4 137.13 54.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.306 -0.406 . . . . 65.22 110.829 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 64.44 111.197 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 39.1 m170 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.794 0.331 . . . . 75.31 110.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.8 p -164.22 144.23 7.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 53.43 110.836 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.01 125.75 51.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.893 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . 0.582 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -134.64 137.97 9.68 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.783 -0.722 . . . . 74.24 112.49 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 15.2 m -132.05 123.96 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.36 . . . . 64.31 111.144 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -123.07 116.04 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 63.25 110.889 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 86.6 m -116.23 119.3 35.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.11 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.41 124.74 34.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 70.42 110.794 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -138.7 134.74 33.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 71.41 110.846 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -125.06 127.72 47.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.14 110.921 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 18.4 m -119.57 136.58 54.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 64.41 110.865 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.55 ' NZ ' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -129.94 128.52 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.904 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -127.99 126.56 41.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.964 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.662 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -137.47 131.26 31.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 53.1 110.876 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -141.65 118.46 11.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.824 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 58.2 m -128.58 137.67 51.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 53.15 110.859 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -139.96 138.57 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.825 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.63 129.52 40.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.48 125.75 39.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.066 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -134.27 127.96 32.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.868 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -138.03 130.05 28.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.859 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -142.05 144.2 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' D' ' 8' ' ' SER . 12.8 m -142.98 153.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 64.23 111.155 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -135.2 130.31 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.896 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -121.76 109.24 14.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 70.25 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.992 HD23 HG22 ' B' ' 5' ' ' THR . 1.0 OUTLIER -116.51 116.31 27.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.897 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . 0.612 ' N ' HD22 ' J' ' 126' ' ' LEU . 0.2 OUTLIER -118.97 126.99 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.911 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.54 134.32 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 42.1 110.937 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.054 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 18.3 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.798 0.332 . . . . 74.54 110.819 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.22 167.95 22.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 71.15 110.872 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.5 128.16 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 75.21 110.95 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.26 138.72 10.36 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.761 . . . . 73.3 112.462 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.61 HG23 ' HG ' ' C' ' 26' ' ' LEU . 6.9 m -131.81 121.29 23.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 75.2 111.146 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -117.88 110.97 18.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.88 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 7.0 m -112.81 117.82 33.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.51 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.54 130.52 47.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.41 . . . . 61.42 110.848 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.6 141.86 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 54.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -135.1 142.33 46.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.923 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -141.02 138.31 33.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 63.01 110.91 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 137.68 39.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.04 110.88 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -136.06 117.71 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 72.21 110.967 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' L' ' 114' ' ' LEU . 0.4 OUTLIER -123.28 115.91 22.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 74.42 110.953 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.17 111.27 17.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 63.53 110.816 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 121.72 38.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.15 110.868 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -135.4 135.81 40.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.871 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -132.75 144.31 50.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.85 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.4 123.97 18.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 71.24 111.105 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -122.94 121.79 37.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.842 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -129.09 118.6 22.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.886 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -140.26 142.45 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' C' ' 8' ' ' SER . 12.4 m -141.99 157.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 44.51 111.08 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -132.81 140.38 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 65.13 110.914 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.95 114.18 8.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 74.13 110.863 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' L' ' 126' ' ' LEU . 7.5 tt -120.9 128.76 53.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.233 -0.44 . . . . 62.43 110.962 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.8 124.96 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.885 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -127.85 139.31 52.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 72.04 110.858 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.162 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . 0.665 ' O ' HG23 ' D' ' 29' ' ' THR . 18.6 m170 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.809 0.338 . . . . 71.5 110.828 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -146.61 168.57 20.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 64.04 110.849 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.72 126.24 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 63.44 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.513 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -134.43 135.68 8.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 72.55 112.485 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.678 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.9 m -130.28 120.24 24.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.838 0.351 . . . . 75.32 111.137 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -118.51 110.74 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.53 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . 0.408 HG23 ' HB2' ' F' ' 24' ' ' GLN . 7.0 m -111.2 117.46 33.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 71.32 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.94 126.54 39.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 62.25 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.12 143.43 38.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -134.56 141.32 46.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.9 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 6.3 t -140.06 138.91 35.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 52.33 110.826 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.592 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.63 138.06 37.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 51.22 110.897 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -134.36 118.38 17.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.953 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 1.032 HD22 HD22 ' K' ' 114' ' ' LEU . 0.4 OUTLIER -121.24 115.87 23.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.945 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.33 109.73 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.855 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.87 123.89 45.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.916 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.812 ' HD3' HD12 ' D' ' 14' ' ' LEU . 2.1 ptm180 -133.75 136.32 44.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.894 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -133.48 146.68 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 63.23 110.891 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -139.39 123.91 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.113 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -123.95 123.27 40.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.951 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -130.65 122.33 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.51 110.895 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -138.84 140.55 38.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 71.32 110.894 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.621 HG12 ' HA ' ' F' ' 8' ' ' SER . 16.6 m -142.09 154.92 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.122 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . 0.553 ' HB2' HG23 ' D' ' 7' ' ' THR . 22.5 tp60 -136.2 140.92 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.954 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -138.01 117.4 12.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.872 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 1.027 HD13 HD13 ' K' ' 126' ' ' LEU . 6.8 tt -120.01 129.8 54.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 71.45 110.911 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.74 128.42 47.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.793 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -124.69 137.33 54.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.822 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 54.11 111.14 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 25.8 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.794 0.331 . . . . 72.11 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.8 160.0 36.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.896 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.48 128.71 56.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.922 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.581 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -134.72 138.74 10.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 75.2 112.568 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.711 ' HB ' HD23 ' E' ' 26' ' ' LEU . 10.3 t -127.54 128.92 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 71.24 111.165 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . 0.449 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 20.4 t80 -121.62 119.33 31.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.919 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . 0.729 HG22 ' HG3' ' E' ' 24' ' ' GLN . 7.5 p -127.1 119.25 26.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 71.44 111.13 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 31.2 t -137.69 134.86 35.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.844 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.25 128.93 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.34 110.866 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -121.85 138.36 54.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 72.13 110.866 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 76.7 p -141.5 137.87 32.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 65.41 110.83 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . 0.714 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -135.3 141.34 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 72.4 110.879 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -134.65 124.08 24.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -124.82 125.14 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 75.11 110.887 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.23 110.56 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.905 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.7 p -127.27 126.46 42.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.817 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.01 138.11 48.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.047 -0.524 . . . . 74.4 110.841 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.76 135.39 53.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 63.22 110.892 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.52 123.1 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 70.51 111.11 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.6 126.27 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.943 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -134.61 121.52 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.13 110.924 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -136.73 141.67 43.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.92 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.4 m -141.83 156.79 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 72.53 111.184 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -133.85 134.5 42.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.916 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -134.95 109.95 8.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.3 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' N' ' 126' ' ' LEU . 9.6 tt -116.24 134.18 55.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.907 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . 0.427 ' N ' HD23 ' M' ' 126' ' ' LEU . 0.3 OUTLIER -130.51 125.69 34.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.832 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.52 140.38 53.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 62.13 110.933 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.077 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . 0.602 ' CD2' HG21 ' H' ' 29' ' ' THR . 25.4 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.831 0.348 . . . . 74.24 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.57 160.59 36.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 62.52 110.886 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . 0.524 ' HG2' HD21 ' H' ' 26' ' ' LEU . 0.7 OUTLIER -112.67 127.04 56.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 70.22 110.934 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.535 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -134.35 136.53 8.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.789 -0.719 . . . . 54.03 112.455 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . 0.658 ' HB ' HD23 ' H' ' 26' ' ' LEU . 12.1 t -131.26 129.13 41.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.318 . . . . 73.02 111.159 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -122.73 121.91 37.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 11.1 p -120.15 121.62 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.34 111.181 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 31.3 t -138.3 129.59 27.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.87 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -142.53 130.26 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.881 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -121.3 136.06 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 50.54 110.906 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 76.6 p -142.15 138.1 31.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 74.35 110.87 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.763 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -135.92 141.79 44.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.851 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -133.13 124.11 26.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.921 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.786 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -123.4 125.17 44.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.958 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -133.56 110.02 9.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 72.55 110.912 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 p -125.93 129.58 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.811 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.41 136.1 45.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 64.21 110.845 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.51 137.23 54.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 70.41 110.847 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -132.71 123.63 26.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.12 111.091 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -130.72 126.98 37.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 73.33 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -137.47 122.02 18.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 72.41 110.797 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -136.1 143.34 44.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 70.1 110.893 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.73 152.18 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.138 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -136.95 135.32 37.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.873 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -133.12 112.07 11.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 62.02 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 1.037 HD13 HD13 ' M' ' 126' ' ' LEU . 9.9 tt -114.21 133.69 55.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.303 -0.408 . . . . 62.42 110.977 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -133.46 129.51 37.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.849 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -123.5 138.86 54.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 63.42 110.892 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.211 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . 0.447 ' CD2' HG21 ' G' ' 29' ' ' THR . 43.9 m170 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.778 0.323 . . . . 65.4 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 12.4 p -156.35 153.57 29.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.841 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.13 129.92 48.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 62.35 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.641 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.02 138.63 8.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 62.3 112.469 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.621 HG23 HD23 ' G' ' 26' ' ' LEU . 0.9 OUTLIER -125.6 129.43 49.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 74.43 111.128 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 26.2 t80 -121.42 127.69 51.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 62.41 110.881 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -139.37 122.91 17.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.146 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -143.89 146.75 33.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.951 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.81 157.43 43.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.877 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -146.13 127.95 15.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 70.44 110.965 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.41 137.58 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 65.31 110.846 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' O' ' 114' ' ' LEU . 18.2 tptp -128.32 128.71 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.872 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.55 115.78 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.951 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.449 HD12 ' HE3' ' O' ' 112' ' ' LYS . 0.1 OUTLIER -120.39 131.78 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 43.51 110.967 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -143.39 114.3 7.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.911 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 58.1 p -136.87 127.02 26.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.837 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -135.3 146.27 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.82 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . 0.42 ' HD3' ' HB3' ' G' ' 13' ' ' TYR . 0.1 OUTLIER -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 70.12 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.35 124.85 13.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.35 111.091 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -124.64 125.82 44.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 64.51 110.93 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -130.71 120.41 23.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -140.79 144.39 35.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.851 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.615 HG12 ' HA ' ' G' ' 8' ' ' SER . 12.3 m -142.58 156.12 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.42 111.186 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -131.66 136.06 47.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.891 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -137.97 113.81 9.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 71.45 110.901 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' P' ' 126' ' ' LEU . 10.5 tt -117.98 131.88 56.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.903 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.428 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.1 mmt -126.76 124.2 39.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.941 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -126.49 131.36 51.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 64.51 110.883 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . 0.527 HG23 ' CB ' ' G' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 72.32 111.1 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 44.2 m170 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.8 0.333 . . . . 73.35 110.889 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 12.5 p -156.9 154.76 30.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.877 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -127.48 129.72 47.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.935 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.75 138.0 7.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 44.14 112.512 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.9 m -128.13 129.1 46.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.761 0.315 . . . . 64.22 111.192 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -120.75 129.82 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 64.45 110.868 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.0 t -138.71 123.32 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.04 111.219 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 5.9 t -144.76 147.09 32.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 44.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -145.05 158.76 43.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 71.54 110.87 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -146.17 127.55 14.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 75.31 110.937 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.44 134.81 46.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 54.11 110.766 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . 0.505 ' CD ' ' HB2' ' H' ' 19' ' ' ALA . 18.1 tptp -129.33 128.13 42.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.902 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.38 115.27 20.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 64.54 110.926 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.469 HD12 ' HZ1' ' P' ' 112' ' ' LYS . 0.1 OUTLIER -116.93 134.26 54.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.909 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -144.14 113.84 7.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.819 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 58.7 p -134.02 131.06 38.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.01 110.849 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . 0.622 HH11 HD13 ' H' ' 14' ' ' LEU . 7.8 ptm180 -134.6 148.83 50.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 71.21 110.849 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.88 150.89 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 63.21 110.838 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -145.08 123.94 12.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 62.42 111.173 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.64 124.27 35.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.957 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -135.63 118.87 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 53.31 110.855 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -141.71 144.07 33.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.429 . . . . 53.21 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.97 153.51 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 54.55 111.152 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . 0.492 ' CB ' HG23 ' H' ' 7' ' ' THR . 13.2 pt20 -134.15 134.04 41.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -136.83 114.68 11.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.871 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.945 HD13 HD13 ' O' ' 126' ' ' LEU . 10.6 tt -118.62 132.24 56.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 63.44 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.5 mmt -128.27 125.49 38.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.841 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -122.42 133.89 54.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 70.32 110.901 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 71.54 111.174 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.704 0.287 . . . . 63.31 110.79 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -145.3 153.36 41.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 54.25 110.914 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.57 156.79 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 73.12 110.901 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.23 128.39 2.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 64.52 112.516 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -126.15 138.2 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 65.12 111.135 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.07 111.39 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 65.02 110.876 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.1 142.74 51.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.161 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.665 ' HA ' HG12 ' I' ' 123' ' ' VAL . 13.3 t -140.38 134.64 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 54.54 110.873 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -133.65 125.37 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.04 110.928 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.29 122.55 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.91 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.51 130.87 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 65.33 110.86 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 124.46 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 75.4 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.03 132.93 47.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 75.1 110.829 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD12 ' HB2' ' I' ' 117' ' ' ARG . 0.4 OUTLIER -123.13 118.73 28.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 74.25 110.91 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.43 122.62 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.864 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.75 148.39 45.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' HD11 ' J' ' 114' ' ' LEU . 6.1 ptm180 -146.41 148.96 32.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 72.35 110.896 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -141.28 124.26 16.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.955 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.68 139.55 53.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 35.14 111.148 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.03 123.93 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.917 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -119.59 127.39 52.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.822 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.95 126.79 46.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.91 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.6 t -144.89 117.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.23 111.206 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -142.09 138.92 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.913 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 p-90 -140.89 137.06 32.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.51 110.9 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD13 ' HB ' ' I' ' 105' ' ' THR . 2.3 tp -133.81 130.21 37.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 63.02 110.907 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.558 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -121.64 138.42 54.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.842 179.823 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.41 176.81 10.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.15 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 62.35 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -144.95 153.6 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.868 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -154.7 152.21 29.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 130.87 2.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 64.32 112.505 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.404 HG21 HD13 ' I' ' 126' ' ' LEU . 3.3 p -126.08 136.73 53.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.883 0.373 . . . . 54.21 111.126 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.91 115.7 9.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.836 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.593 HG23 ' CB ' ' J' ' 124' ' ' GLN . 0.2 OUTLIER -119.64 144.2 47.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 60.42 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 13.3 t -137.6 135.45 36.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.83 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -134.99 126.69 29.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.875 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.39 125.29 30.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.935 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.07 132.24 49.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 74.52 110.889 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.54 129.68 35.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.925 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.31 131.54 53.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.892 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.19 116.57 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.44 110.892 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.29 122.99 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.857 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.5 146.83 46.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 51.11 110.934 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.54 146.05 30.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -145.04 124.5 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 73.25 110.895 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.31 139.18 54.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 72.15 111.114 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -138.87 124.11 19.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.23 110.959 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -117.43 128.85 55.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -125.12 128.41 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 43.5 t -144.14 122.79 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 55.24 111.134 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.442 ' HB3' HG23 ' J' ' 107' ' ' THR . 1.7 tm0? -138.01 139.75 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.925 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 p-90 -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.921 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.536 HD12 ' N ' ' B' ' 27' ' ' MET . 4.1 tp -134.35 131.27 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . 0.536 ' N ' HD12 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -122.62 137.55 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 73.21 110.871 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -149.68 176.37 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.24 110.852 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 61.1 111.178 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.778 0.323 . . . . 72.21 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 14.2 p -151.36 158.83 44.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 51.54 110.873 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . 0.419 ' NE2' HD21 ' K' ' 126' ' ' LEU . 1.5 pp0? -165.74 145.44 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 63.01 110.843 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.13 129.42 5.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 55.02 112.516 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -124.05 118.32 26.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 71.15 111.068 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -124.27 116.08 22.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.896 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 3.7 p -123.07 143.48 49.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.32 111.143 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.563 ' HA ' HG12 ' K' ' 123' ' ' VAL . 2.0 t -138.39 135.05 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.814 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.73 122.27 18.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 72.12 110.893 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -133.77 129.28 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.939 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -131.5 142.05 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.41 110.903 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . 0.515 ' HG3' ' HB2' ' K' ' 119' ' ' ALA . 3.0 ttpm? -138.82 138.42 37.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.883 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -140.42 130.72 25.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.259 -0.428 . . . . 42.21 110.994 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.98 131.07 42.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 64.04 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -137.35 122.82 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.822 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.29 124.23 33.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.858 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -122.77 135.47 54.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 74.53 110.903 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -131.67 129.19 40.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 73.13 110.856 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 132.32 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 70.32 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.99 123.81 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 74.21 110.945 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -126.63 124.15 39.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.879 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -124.98 123.61 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.928 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.28 131.64 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 61.25 111.181 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.451 ' NE2' HG23 ' K' ' 107' ' ' THR . 4.4 tp-100 -135.92 121.33 19.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.898 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -117.8 128.99 55.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.857 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.515 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.5 OUTLIER -135.45 131.61 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.55 110.873 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.4 130.69 20.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.898 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -161.16 176.98 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.5 HG22 ' HA ' ' I' ' 102' ' ' SER . 43.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 65.11 111.12 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.828 0.347 . . . . 75.44 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -151.26 159.07 44.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 74.43 110.816 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -162.87 142.88 9.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.904 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 131.61 5.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 45.23 112.568 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 15.8 p -121.18 118.42 29.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 72.45 111.143 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.71 115.94 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 64.24 110.834 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -119.22 141.71 48.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.32 111.143 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -135.87 134.66 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.822 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.47 120.93 13.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -133.84 130.44 37.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 70.4 110.937 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -129.22 142.37 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 64.4 110.832 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -137.56 139.39 40.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.959 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -139.65 131.34 27.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.932 0.396 . . . . 74.31 110.91 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.692 HD13 ' HD2' ' L' ' 117' ' ' ARG . 3.5 mp -133.18 129.42 37.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.845 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -138.19 122.86 18.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 71.12 110.871 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.2 123.28 29.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.31 110.843 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -122.1 132.86 54.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.842 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -134.78 128.85 33.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.82 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.642 ' HB2' ' HE2' ' L' ' 112' ' ' LYS . . . -124.26 133.46 53.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.43 111.072 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 124.36 29.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 51.44 110.893 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -124.25 127.84 48.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.86 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -122.58 123.71 41.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 64.44 110.874 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . 0.509 HG13 ' OG ' ' L' ' 108' ' ' SER . 21.4 t -132.18 129.73 60.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 64.24 111.152 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -138.6 120.21 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.4 110.931 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 25.1 t-105 -117.71 129.83 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.09 134.69 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 74.24 110.989 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.6 130.18 22.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 74.34 110.859 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.77 177.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.02 110.86 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.499 . . . . 65.05 111.095 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.791 0.329 . . . . 64.51 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.78 152.74 42.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 45.2 110.88 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -159.62 163.36 35.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 71.14 110.923 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.93 131.52 3.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 60.05 112.572 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -120.21 135.45 54.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 63.45 111.19 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.7 111.71 8.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 75.24 110.882 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.48 141.15 51.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 72.03 111.117 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.67 ' HA ' HG12 ' M' ' 123' ' ' VAL . 10.4 t -141.42 134.64 29.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.841 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.59 119.57 14.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 72.35 110.851 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -131.98 120.82 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.977 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -124.66 141.92 51.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 75.3 110.891 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -142.85 138.92 30.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -142.84 124.34 14.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.936 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' M' ' 117' ' ' ARG . 1.0 OUTLIER -122.92 121.21 35.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.22 110.929 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -123.97 124.66 43.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 64.23 110.879 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -132.69 122.54 24.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 137.5 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 74.13 110.83 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -131.28 140.65 49.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.25 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' M' ' 112' ' ' LYS . . . -131.26 137.46 48.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 111.074 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -138.09 126.52 23.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.903 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -129.52 130.59 45.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 54.35 110.874 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -125.9 125.77 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.86 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 23.7 t -132.05 120.43 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 71.53 111.15 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . 0.432 ' NE2' HG23 ' M' ' 107' ' ' THR . 4.9 tp-100 -128.73 122.52 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 74.03 110.856 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.69 131.51 56.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.949 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.85 126.01 31.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.912 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.96 135.26 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.906 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -162.83 176.74 9.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.899 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.155 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.852 0.358 . . . . 73.14 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -142.56 153.0 43.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.84 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . 0.649 HE22 HD21 ' L' ' 126' ' ' LEU . 1.6 pp0? -156.0 157.6 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.864 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 132.82 3.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.464 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -122.56 133.64 54.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 65.14 111.178 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -137.81 115.28 11.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.886 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 143.91 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 73.13 111.127 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.409 ' HA ' HG12 ' L' ' 123' ' ' VAL . 10.4 t -135.38 134.87 40.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 62.22 110.914 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.98 119.16 12.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 64.31 110.882 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -131.24 118.95 21.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 75.13 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -125.92 140.44 52.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 64.23 110.888 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -140.86 141.78 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 54.24 110.868 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -140.11 122.72 16.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 60.22 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' N' ' 117' ' ' ARG . 1.0 OUTLIER -121.93 120.99 36.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 71.32 110.861 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -125.11 125.15 43.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.797 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -129.42 124.15 33.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 62.21 110.836 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . 0.426 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.2 OUTLIER -124.69 132.36 53.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.864 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -132.93 138.76 47.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.23 110.87 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.34 138.4 47.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.43 111.079 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -136.39 128.35 29.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 74.44 110.92 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -127.6 133.92 49.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 50.02 110.86 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -123.47 126.41 46.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.902 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . 0.458 HG13 ' HE1' ' N' ' 106' ' ' PHE . 29.9 t -133.14 118.29 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 74.15 111.142 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -132.14 118.46 19.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 73.23 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.19 130.47 56.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.868 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.523 HD23 ' O ' ' L' ' 104' ' ' GLY . 0.4 OUTLIER -129.69 126.52 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 50.02 110.909 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.08 129.35 39.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.877 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -164.7 177.45 8.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 73.15 110.854 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . 0.54 HG22 ' HA ' ' N' ' 102' ' ' SER . 19.1 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.51 111.225 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.795 0.331 . . . . 73.11 110.848 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.72 157.55 43.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.822 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.85 137.29 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 73.14 110.91 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.56 128.55 6.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 64.21 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 14.8 p -123.18 117.25 24.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 41.32 111.114 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -128.35 119.36 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.942 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.34 124.28 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.171 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.539 ' HA ' HG12 ' O' ' 123' ' ' VAL . 1.5 t -118.41 134.94 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.4 110.833 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.78 121.13 15.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.51 110.85 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -127.6 127.86 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.948 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -135.7 142.4 45.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 72.4 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.33 144.32 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -134.39 138.82 45.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.927 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.555 HD23 ' CD ' ' O' ' 117' ' ' ARG . 0.1 OUTLIER -129.92 118.0 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 72.3 110.938 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -121.9 122.76 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.847 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.94 119.72 26.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 65.11 110.835 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.95 134.51 53.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.859 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -134.76 136.65 42.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.826 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.31 135.34 47.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 111.086 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -138.19 123.88 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -130.17 129.59 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 71.03 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.99 136.66 53.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 74.34 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.1 t -140.84 134.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.113 -0.494 . . . . 72.15 111.061 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . 0.594 ' NE2' HG22 ' O' ' 107' ' ' THR . 2.7 tp-100 -144.45 117.75 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 52.22 110.843 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -117.2 129.8 56.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.971 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.807 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.4 tm? -135.13 129.2 33.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.88 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.589 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -137.26 131.25 32.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 55.31 110.91 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -164.75 149.8 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 64.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 47.9 m . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 74.01 111.177 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.837 0.351 . . . . 71.04 110.806 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.3 155.41 42.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.54 110.841 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.94 134.06 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.056 -0.52 . . . . 74.11 110.862 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 130.19 6.28 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.656 -0.783 . . . . 64.03 112.445 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . 0.487 HG22 HD12 ' P' ' 126' ' ' LEU . 11.7 p -121.82 118.97 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 74.12 111.132 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -127.58 121.62 31.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 63.22 110.906 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . 0.604 HG21 HE22 ' O' ' 124' ' ' GLN . 0.2 OUTLIER -126.1 127.65 46.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 74.23 111.117 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -117.94 134.74 54.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 72.04 110.882 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.46 118.56 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 74.05 110.965 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -129.72 128.15 41.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.898 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -136.02 140.78 44.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 31.35 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.38 142.93 23.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.878 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -136.4 136.29 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.962 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.68 119.89 25.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.116 -0.493 . . . . 62.14 110.943 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -123.37 122.74 39.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.24 110.907 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 119.63 27.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 61.14 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . 0.43 ' HE ' HD11 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -125.13 132.89 53.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 71.15 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -133.97 137.42 44.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 63.01 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.71 136.85 47.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 71.23 111.143 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -135.86 126.53 27.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 62.42 110.857 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -128.67 130.58 47.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.825 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -124.89 138.31 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.875 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 14.1 t -144.23 132.91 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 65.03 111.127 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -144.1 116.99 8.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.889 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -119.32 129.28 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.888 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.537 HD13 ' C ' ' H' ' 26' ' ' LEU . 2.9 tm? -133.3 133.34 42.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . 0.518 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -137.74 130.43 29.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.93 179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -164.62 151.06 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 64.13 110.911 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 65.22 111.125 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 64.45 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . 0.5 ' HA ' HG22 ' C' ' 29' ' ' THR . 6.9 t -76.96 157.08 31.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 72.01 110.813 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.54 127.15 10.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 63.33 110.935 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -134.63 137.02 8.94 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 53.32 112.465 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.619 ' HB ' HD13 ' A' ' 26' ' ' LEU . 4.7 t -127.68 128.06 44.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 73.32 111.21 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -127.09 124.22 38.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.917 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -123.31 125.27 44.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 73.43 111.171 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -132.04 136.49 47.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.864 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.63 140.81 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 51.21 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -134.14 127.83 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -120.6 134.67 55.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.805 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . 0.619 ' HE2' HD12 ' I' ' 114' ' ' LEU . 0.0 OUTLIER -133.6 128.53 35.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 63.41 110.82 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -129.56 127.59 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 42.1 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -127.33 133.02 50.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 74.41 110.908 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.07 109.51 6.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.01 110.841 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.21 130.31 46.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 64.33 110.873 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -134.34 141.43 46.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.853 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.47 131.9 45.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 63.04 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.71 123.38 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.44 111.148 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.83 125.36 37.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.89 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -134.95 126.76 29.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 63.22 110.873 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -144.27 143.99 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 64.12 110.911 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.665 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.9 m -140.01 156.8 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.5 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.96 134.02 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 73.05 110.963 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -131.43 126.67 35.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 71.34 110.855 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' J' ' 126' ' ' LEU . 7.4 tt -124.15 132.28 53.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' I' ' 126' ' ' LEU . 2.0 mmt -128.29 125.09 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 70.44 110.927 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . 0.434 HD22 ' N ' ' I' ' 129' ' ' THR . 0.1 OUTLIER -131.1 137.91 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 65.22 110.884 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . 0.434 ' N ' HD22 ' I' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 64.44 111.194 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.798 0.332 . . . . 75.31 110.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.0 t -76.94 157.42 31.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 53.43 110.89 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -150.22 126.71 10.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.908 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.49 137.2 9.4 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.782 -0.723 . . . . 74.24 112.548 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 4.9 t -128.42 128.75 45.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 64.31 111.115 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -127.52 123.12 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 63.25 110.876 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . 0.442 HG23 ' HB3' ' B' ' 24' ' ' GLN . 1.3 t -122.8 124.07 42.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 73.22 111.109 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -135.19 132.42 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.447 . . . . 70.42 110.84 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.16 141.73 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.907 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -134.09 127.2 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.945 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 37.1 t -120.62 135.77 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 64.41 110.827 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.674 ' HE2' HD12 ' J' ' 114' ' ' LEU . 0.0 OUTLIER -135.73 128.32 30.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 74.43 110.876 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -127.24 129.77 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.1 110.902 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.702 HD13 HD13 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -128.53 134.0 48.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 53.1 110.949 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.2 110.54 8.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.848 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.5 m -129.56 124.91 35.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 53.15 110.884 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.25 142.52 39.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.79 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.69 134.1 45.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.11 110.822 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.65 123.85 30.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 73.03 111.083 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -128.0 125.87 40.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 75.45 110.848 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.78 128.93 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.856 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -141.79 143.54 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -139.45 154.3 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 64.23 111.142 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . 0.593 ' CB ' HG23 ' B' ' 7' ' ' THR . 0.0 OUTLIER -137.23 135.85 37.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 71.2 110.908 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -126.24 126.49 44.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 70.25 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.531 HD11 HD11 ' I' ' 126' ' ' LEU . 7.2 tt -124.72 129.76 51.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.837 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . 0.472 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.9 mmt -129.77 128.16 41.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.813 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . 0.415 HD22 ' N ' ' J' ' 129' ' ' THR . 0.1 OUTLIER -129.48 136.39 49.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 42.1 110.825 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . 0.415 ' N ' HD22 ' J' ' 128' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.172 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 74.54 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -160.62 162.83 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.15 110.857 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.73 128.01 12.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.835 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.499 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -138.82 137.67 8.85 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.686 -0.769 . . . . 73.3 112.449 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.515 HG23 ' HG ' ' C' ' 26' ' ' LEU . 24.2 m -133.93 144.66 48.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 75.2 111.135 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -140.85 112.08 7.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.867 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . 0.451 HG23 ' NE2' ' C' ' 24' ' ' GLN . 0.2 OUTLIER -111.56 118.39 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.51 111.151 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.07 125.21 34.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.893 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -134.44 132.35 39.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 54.13 110.937 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -129.03 133.72 47.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 73.41 110.968 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -131.76 133.97 45.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 63.01 110.893 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . 0.542 ' HZ1' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -131.23 130.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 73.04 110.881 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.53 115.03 16.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 72.21 110.93 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.542 HD12 ' HZ1' ' K' ' 112' ' ' LYS . 0.0 OUTLIER -119.59 124.27 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.919 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -128.31 109.72 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 63.53 110.87 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 6.7 p -123.74 122.55 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.15 110.888 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.0 137.63 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.868 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 152.35 49.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.87 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . 0.515 ' HB2' ' HG3' ' C' ' 12' ' ' LYS . . . -147.32 134.67 20.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 71.24 111.13 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.52 121.94 28.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 71.03 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -127.1 117.36 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.912 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -137.65 141.39 41.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.869 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' C' ' 8' ' ' SER . 3.9 m -144.28 156.37 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 44.51 111.107 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -136.0 139.88 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 65.13 110.91 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -135.35 116.74 14.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.624 ' O ' HD23 ' K' ' 126' ' ' LEU . 0.3 OUTLIER -118.55 127.45 53.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 62.43 110.951 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.11 125.08 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 73.44 110.904 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.53 130.62 52.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.848 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.129 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 28.8 m170 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 71.5 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -159.77 162.98 34.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 64.04 110.827 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.02 126.25 13.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 63.44 110.921 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.523 ' O ' HD23 ' F' ' 26' ' ' LEU . . . -138.33 136.74 8.28 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.845 -0.693 . . . . 72.55 112.526 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . . . . . . . . . 24.0 m -134.55 137.5 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 75.32 111.115 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -135.29 112.37 10.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.53 110.865 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.87 115.84 29.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 71.32 111.123 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . 0.509 ' OG ' HG13 ' D' ' 23' ' ' VAL . 0.6 OUTLIER -132.21 124.31 28.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 62.25 110.867 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.73 135.46 38.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.15 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -126.11 132.96 51.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.43 110.913 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -130.97 134.41 46.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.514 . . . . 52.33 110.816 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.642 ' HE2' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.46 130.73 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 51.22 110.853 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -129.49 115.22 17.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.894 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.482 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -120.67 124.16 44.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.904 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -126.11 109.42 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 63.41 110.897 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 6.8 p -123.81 123.37 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.841 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.692 ' HD2' HD13 ' D' ' 14' ' ' LEU . 0.1 OUTLIER -138.18 143.02 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 72.34 110.85 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.45 152.05 46.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 63.23 110.901 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.26 136.35 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.43 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -130.93 122.35 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -126.95 119.36 26.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.808 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -138.35 140.13 39.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.835 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' F' ' 8' ' ' SER . 6.9 m -144.02 155.62 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 73.14 111.169 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -138.5 140.83 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -133.72 120.01 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.649 HD21 HE22 ' F' ' 3' ' ' GLN . 0.2 OUTLIER -119.41 127.43 53.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 71.45 110.935 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.8 128.79 50.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.908 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -124.34 129.21 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.33 110.869 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 54.11 111.171 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 72.11 110.902 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 27.3 p -163.18 142.11 8.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.82 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.09 128.88 55.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.41 110.878 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.72 138.46 9.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.76 . . . . 75.2 112.443 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . . . . . . . . . 5.0 t -135.05 133.27 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 71.24 111.166 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.47 124.33 35.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 72.4 110.799 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . 0.432 HG23 ' NE2' ' E' ' 24' ' ' GLN . 0.2 OUTLIER -119.11 118.93 32.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 71.44 111.186 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -128.6 130.32 47.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.824 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -132.05 140.07 48.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 74.34 110.865 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.41 127.82 38.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.966 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.85 134.17 48.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.41 110.878 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -133.2 129.98 38.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.4 110.908 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -128.16 114.98 17.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.921 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.43 HD11 ' HE ' ' H' ' 17' ' ' ARG . 0.1 OUTLIER -120.32 121.18 38.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.886 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -130.16 110.1 11.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 71.13 110.856 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -127.2 122.18 33.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.861 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . 0.546 ' CD ' HD13 ' G' ' 14' ' ' LEU . 3.2 ptm180 -135.54 138.65 43.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.944 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 146.95 48.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.22 110.952 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.06 134.46 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 70.51 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -133.33 124.14 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.25 110.873 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -128.18 121.1 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.804 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -140.84 142.99 34.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.926 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' E' ' 8' ' ' SER . 12.3 m -140.78 156.46 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.53 111.142 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.47 136.51 45.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.908 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -129.47 133.56 47.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 73.3 110.863 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.604 HD23 ' N ' ' M' ' 127' ' ' MET . 6.6 tt -131.97 133.89 45.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.895 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . 0.604 ' N ' HD23 ' M' ' 126' ' ' LEU . 9.4 mmt -132.07 125.0 30.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 70.12 110.818 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.84 140.34 51.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.475 . . . . 62.13 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.144 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 74.24 110.875 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . 0.54 ' HA ' HG22 ' F' ' 29' ' ' THR . 26.7 p -162.87 141.38 8.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 62.52 110.873 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.31 125.22 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.898 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.95 136.45 7.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 54.03 112.454 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . 0.404 HG22 ' HB3' ' F' ' 26' ' ' LEU . 5.3 t -132.86 136.66 46.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 73.02 111.184 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . 0.458 ' HE1' HG13 ' F' ' 23' ' ' VAL . 4.6 t80 -127.93 122.95 33.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.856 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.24 117.78 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.34 111.076 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -127.91 128.28 44.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -130.81 140.65 50.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.9 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.16 126.95 36.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.444 . . . . 50.54 110.927 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 134.3 46.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.851 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.91 129.94 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 63.33 110.919 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -127.97 114.86 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 74.23 110.874 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.39 121.46 39.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.946 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -130.71 108.69 10.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 72.55 110.912 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -126.21 124.89 41.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 74.33 110.891 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . 0.486 ' HD3' HD13 ' F' ' 14' ' ' LEU . 2.6 ptm180 -134.82 135.64 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 64.21 110.865 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.69 148.47 51.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 70.41 110.84 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.23 135.06 23.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 51.12 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.6 123.18 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.49 123.35 33.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.919 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -137.5 141.03 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 70.1 110.871 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.67 154.44 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 75.12 111.06 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.66 134.48 39.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.35 110.912 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -127.69 133.28 49.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 62.02 110.973 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.578 HD23 ' N ' ' N' ' 127' ' ' MET . 6.3 tt -132.24 132.1 42.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 62.42 110.885 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . 0.578 ' N ' HD23 ' N' ' 126' ' ' LEU . 9.5 mmt -130.52 127.67 39.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.848 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.17 138.87 52.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.955 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 71.12 111.125 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 65.4 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 14.8 m -80.37 138.89 36.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 75.42 110.92 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -122.38 136.54 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.946 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.441 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -144.47 140.49 9.34 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.806 -0.711 . . . . 62.3 112.5 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.807 ' HB ' HD23 ' G' ' 26' ' ' LEU . 9.8 t -136.42 128.44 29.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 74.43 111.16 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.12 119.51 30.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 62.41 110.889 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . 0.594 HG22 ' NE2' ' G' ' 24' ' ' GLN . 2.1 p -113.34 138.41 50.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.127 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 7.4 t -146.65 136.05 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 73.11 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -141.1 140.91 34.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 73.21 110.918 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -137.79 127.33 25.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 70.44 110.919 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -130.86 137.1 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 65.31 110.801 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.35 132.9 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.082 -0.508 . . . . 71.4 110.913 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -130.72 121.79 26.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.33 110.887 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -128.21 115.62 18.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 43.51 110.897 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.2 113.12 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.14 110.896 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.41 121.55 39.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 64.14 110.873 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.555 ' CD ' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.98 124.44 39.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.43 110.878 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -124.31 133.42 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 70.12 110.858 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.3 125.64 26.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.106 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.6 126.59 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 64.51 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.75 136.0 42.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.874 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -145.58 141.74 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.31 110.885 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.5 m -145.5 144.31 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.42 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . 0.604 HE22 HG21 ' H' ' 7' ' ' THR . 11.7 pt20 -125.43 136.5 53.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.956 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -137.23 120.97 17.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 71.45 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' P' ' 126' ' ' LEU . 3.3 tt -127.33 132.42 50.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.958 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.64 124.09 39.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.894 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -122.33 135.59 54.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.275 -0.42 . . . . 64.51 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.146 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.823 0.344 . . . . 73.35 110.842 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 14.6 m -80.11 138.94 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 64.1 110.856 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -123.23 136.19 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 72.11 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -145.66 139.44 8.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 44.14 112.471 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 9.3 t -132.61 132.22 42.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 64.22 111.125 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -127.04 116.1 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 64.45 110.865 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 1.7 p -115.01 136.8 52.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.04 111.147 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -145.69 136.89 24.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 44.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -138.89 142.5 38.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 71.54 110.847 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -137.85 127.46 25.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 75.31 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 22.4 t -132.19 136.08 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 54.11 110.818 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -136.37 133.12 36.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 73.41 110.878 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -131.63 121.53 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 64.54 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.658 HD22 HD22 ' O' ' 114' ' ' LEU . 0.0 OUTLIER -124.66 118.38 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 74.44 110.944 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.51 111.64 15.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 65.34 110.889 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.8 122.23 40.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 73.01 110.858 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.92 123.14 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.89 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -117.92 137.22 52.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.834 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.62 123.9 21.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 62.42 111.066 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -137.32 127.81 26.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.33 110.873 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.43 134.4 35.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 53.31 110.877 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -143.62 142.59 31.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 53.21 110.872 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 11.6 m -145.86 143.43 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 54.55 111.04 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.8 136.42 53.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.841 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -137.13 121.71 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.53 110.961 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.615 HD13 HD13 ' O' ' 126' ' ' LEU . 2.7 tt -127.41 133.45 49.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 63.44 110.959 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.3 125.58 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.824 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.76 134.07 55.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 70.32 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 71.54 111.161 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.848 0.356 . . . . 63.31 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HB3' HG23 ' I' ' 129' ' ' THR . 0.0 OUTLIER -152.78 157.19 40.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.465 . . . . 54.25 110.897 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.35 135.61 6.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.879 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' HA3' ' HE1' ' I' ' 127' ' ' MET . . . -130.64 139.35 10.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 64.52 112.493 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -130.76 117.71 19.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 65.12 111.154 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -124.84 121.74 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 65.02 110.897 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 t -134.64 149.58 50.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.151 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.593 ' HA ' HG12 ' I' ' 123' ' ' VAL . 21.7 m -140.86 135.35 31.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 54.54 110.803 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.64 122.16 21.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 74.04 110.828 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.79 126.72 43.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.41 110.901 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.31 132.56 51.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 65.33 110.843 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 122.79 10.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 75.4 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -130.69 135.92 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 75.1 110.913 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.95 115.65 22.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.943 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.36 123.21 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.862 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.96 140.53 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 73.22 110.891 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 HH21 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -139.63 126.18 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 72.35 110.928 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -125.25 120.74 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.11 110.903 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.52 142.67 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 35.14 111.098 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.83 125.03 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.32 110.908 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.19 138.64 50.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.861 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.53 139.39 45.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.863 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -143.73 123.8 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 74.23 111.086 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.24 136.7 45.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 74.12 110.858 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -141.84 132.72 25.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.792 ' HB3' HG23 ' I' ' 105' ' ' THR . 1.2 pp -133.32 147.3 51.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 63.02 110.919 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 146.11 40.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 71.21 110.922 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.52 175.75 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.71 HG23 ' N ' ' I' ' 101' ' ' HIS . 1.7 t . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 74.24 111.208 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.864 0.364 . . . . 62.35 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.86 157.15 40.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.812 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.43 133.7 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 75.14 110.865 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.04 140.58 11.96 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.721 . . . . 64.32 112.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -129.93 117.84 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 54.21 111.093 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -125.74 125.03 42.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -129.43 150.44 50.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 60.42 111.108 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -138.15 135.2 35.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.1 110.872 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.92 122.05 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.83 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -126.17 124.95 41.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.838 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.36 134.12 51.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 74.52 110.865 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.74 128.16 14.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.931 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.96 134.34 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 71.54 110.901 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.45 112.76 17.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.957 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.62 122.24 37.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.844 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.79 139.16 41.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 51.11 110.873 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -139.38 122.08 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.876 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -128.01 123.46 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.57 140.19 50.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.15 111.05 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -143.66 124.08 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -130.37 140.76 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.898 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.29 141.18 46.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.821 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.43 HG22 ' HB2' ' J' ' 108' ' ' SER . 57.6 t -143.8 127.11 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 55.24 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.99 140.18 51.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.33 110.954 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -138.4 135.2 35.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -133.09 147.2 52.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 75.51 110.939 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 146.55 39.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.87 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -161.24 177.04 10.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.24 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 61.1 111.154 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 72.21 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.46 151.2 44.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 51.54 110.849 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -157.61 131.03 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 63.01 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.64 144.95 17.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 55.02 112.522 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -129.25 143.53 50.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 71.15 111.173 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -140.44 119.62 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 75.11 110.835 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.77 138.71 53.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.096 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.63 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.1 OUTLIER -133.55 134.03 42.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 64.24 110.858 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -134.99 132.59 38.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.074 -0.512 . . . . 72.12 110.888 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.3 123.31 19.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.969 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.47 134.63 52.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 64.41 110.868 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.71 123.16 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.979 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 125.88 30.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 42.21 110.898 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.51 117.55 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 64.04 110.938 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -121.57 122.29 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.01 142.83 46.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.828 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -140.74 130.82 24.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 74.53 110.812 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -127.25 128.43 46.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.95 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.64 139.07 53.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 70.32 111.128 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -140.44 123.84 16.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.863 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -125.7 136.38 53.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.32 110.837 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -127.71 129.36 46.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -140.17 123.87 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 61.25 111.112 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.67 ' HB2' HG23 ' K' ' 107' ' ' THR . 1.7 tm0? -153.84 136.86 15.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.482 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 2.2 p-90 -137.16 140.65 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.915 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.847 HD23 ' HB ' ' K' ' 105' ' ' THR . 2.5 tm? -123.0 131.98 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.936 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . 0.585 ' N ' HD22 ' C' ' 26' ' ' LEU . 1.6 ptt? -126.75 132.46 51.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.899 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.33 177.01 9.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 73.41 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 65.11 111.128 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.85 0.357 . . . . 75.44 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.44 150.54 43.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.857 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.0 129.03 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.886 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . 0.423 ' HA3' ' HE2' ' J' ' 127' ' ' MET . . . -141.46 140.15 10.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 45.23 112.458 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -133.34 140.35 47.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.766 0.317 . . . . 72.45 111.159 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -142.73 122.37 13.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 64.24 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.5 139.03 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 61.32 111.078 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.653 ' HA ' HG12 ' J' ' 123' ' ' VAL . 0.0 OUTLIER -130.33 134.82 47.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.836 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -137.92 133.56 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 75.34 110.896 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -138.19 123.42 19.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.937 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 135.01 52.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 64.4 110.892 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 125.11 11.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.865 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.93 125.44 33.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.964 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.411 HD12 HH11 ' J' ' 117' ' ' ARG . 0.3 OUTLIER -112.76 116.96 30.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.964 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -121.39 122.19 39.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.12 110.837 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.47 141.44 45.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.31 110.897 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.557 ' CD ' HD11 ' I' ' 114' ' ' LEU . 6.1 ptm180 -141.14 129.03 21.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.801 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -129.48 129.29 44.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.834 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -125.71 138.41 53.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 74.43 111.133 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -141.19 123.79 15.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 51.44 110.924 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.4 138.59 54.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.883 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -127.19 129.29 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 64.44 110.87 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . 0.757 HG13 ' OG ' ' L' ' 108' ' ' SER . 17.7 t -140.84 126.25 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 64.24 111.153 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -155.14 132.63 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 72.4 110.916 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 2.1 p-90 -138.11 138.94 39.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.898 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.616 HD23 ' OG1' ' J' ' 105' ' ' THR . 3.3 tm? -122.9 131.31 53.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.847 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -127.14 128.65 46.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.902 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . 0.447 HD21 ' NE2' ' L' ' 103' ' ' GLN . 0.4 OUTLIER -165.86 177.26 7.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 75.02 110.898 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 65.05 111.166 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.846 0.355 . . . . 64.51 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -159.9 162.82 34.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 45.2 110.841 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -158.46 157.88 33.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.14 110.87 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.75 128.5 2.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 60.05 112.49 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -120.3 131.34 54.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 63.45 111.159 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -136.05 120.36 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.63 144.8 50.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.482 . . . . 72.03 111.115 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -141.26 134.8 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.838 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.33 121.86 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.842 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -131.26 122.03 25.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 63.34 110.929 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.09 141.46 52.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 75.3 110.849 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.86 123.99 12.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.25 124.46 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.05 110.852 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.01 114.68 26.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.909 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.83 122.64 44.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 64.23 110.847 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -134.46 150.35 50.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.882 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.475 ' HE ' HD22 ' M' ' 114' ' ' LEU . 1.2 ptt85 -144.52 141.7 29.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.32 132.79 39.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.838 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . 0.529 ' HB2' ' NZ ' ' K' ' 112' ' ' LYS . . . -130.62 139.36 50.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.44 111.131 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -145.23 133.94 22.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.88 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -138.24 126.14 22.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 54.35 110.88 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.65 126.06 49.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.853 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . 0.655 HG13 ' OG ' ' K' ' 108' ' ' SER . 46.6 t -130.79 132.15 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 71.53 111.14 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -139.75 118.38 12.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -120.21 131.13 54.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.958 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.609 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.1 tm? -125.19 132.74 52.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.908 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.478 ' H ' HD22 ' E' ' 26' ' ' LEU . 3.4 ptp -130.33 133.26 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.886 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -162.91 173.32 13.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.879 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.13 111.175 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 73.14 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 23.7 p -159.49 162.38 35.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.857 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -156.75 156.0 32.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.871 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.62 131.34 3.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 63.31 112.46 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 4.0 p -118.3 130.88 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.792 0.329 . . . . 65.14 111.125 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.05 124.84 23.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.892 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.41 143.41 50.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 73.13 111.151 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -135.71 135.14 39.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 62.22 110.829 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.74 120.81 12.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 64.31 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -130.1 123.58 30.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.858 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.44 138.03 54.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.073 -0.512 . . . . 64.23 110.833 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -145.82 123.73 12.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 54.24 110.899 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.17 125.2 36.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' N' ' 117' ' ' ARG . 4.9 mp -114.55 111.87 22.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 71.32 110.962 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.37 121.96 40.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.912 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.2 t -135.54 145.85 47.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.288 -0.415 . . . . 62.21 110.825 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -145.65 137.76 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.9 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 133.67 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.836 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.656 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.84 141.58 51.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 54.43 111.102 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -142.91 134.74 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.998 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -137.24 129.52 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 50.02 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -119.62 125.89 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.86 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -131.53 127.72 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.15 111.102 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -143.16 115.43 8.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 73.23 110.865 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . 0.435 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 24.2 t-105 -120.15 128.12 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.14 110.957 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.507 HD13 ' C ' ' F' ' 26' ' ' LEU . 3.0 tm? -125.8 132.41 52.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 50.02 110.954 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' F' ' 26' ' ' LEU . 3.4 ptp -132.12 130.2 40.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.863 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -164.69 173.05 12.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 73.15 110.898 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.186 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.828 0.347 . . . . 73.11 110.828 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -160.66 162.24 32.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.883 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.33 158.61 34.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . 0.402 ' CA ' ' HE2' ' O' ' 127' ' ' MET . . . -146.65 128.03 2.89 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 64.21 112.425 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -119.74 126.08 50.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 41.32 111.126 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -127.64 112.34 14.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.883 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.98 144.29 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.172 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.637 ' HA ' HG12 ' O' ' 123' ' ' VAL . 3.1 t -144.74 134.95 24.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 74.4 110.814 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.37 117.43 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 73.51 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -128.52 124.18 35.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.909 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -138.01 148.08 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.4 110.889 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.45 149.36 27.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -140.46 139.95 35.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 73.31 110.974 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' O' ' 117' ' ' ARG . 0.3 OUTLIER -128.5 123.26 33.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 72.3 110.928 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.84 123.05 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.25 110.827 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -132.44 120.07 21.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.849 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . 0.602 ' CD ' HD11 ' P' ' 114' ' ' LEU . 7.4 ptm180 -123.9 140.4 53.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 73.03 110.898 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.37 129.76 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 73.24 110.949 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.22 111.138 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -140.27 134.88 31.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.889 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -140.17 123.43 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.03 110.899 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -117.88 127.34 53.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.817 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.27 129.49 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.15 111.162 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.53 122.46 20.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 52.22 110.933 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -119.46 130.86 55.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.51 110.916 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.3 124.85 35.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 74.22 110.886 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -126.47 131.35 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 55.31 110.86 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . 0.588 HD21 ' NE2' ' M' ' 103' ' ' GLN . 3.2 p-10 -164.28 144.02 7.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.53 110.898 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . 0.434 HG23 ' O ' ' M' ' 101' ' ' HIS . 47.4 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 74.01 111.186 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 71.04 110.81 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -160.36 162.09 33.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.869 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.23 153.22 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 74.11 110.927 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.44 129.55 2.97 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 64.03 112.479 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p -117.6 124.63 49.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.861 0.362 . . . . 74.12 111.059 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.44 114.65 17.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 63.22 110.867 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . 0.618 HG23 ' HB2' ' P' ' 124' ' ' GLN . 0.7 OUTLIER -121.0 147.03 46.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 74.23 111.15 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -138.81 135.24 34.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 72.04 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.84 116.2 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 74.05 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -127.43 125.35 40.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 72.52 110.929 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -135.59 145.97 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 31.35 110.831 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . 0.688 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -153.02 149.28 28.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.2 110.903 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -140.29 139.21 35.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 71.43 110.883 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.87 122.5 34.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 62.14 110.939 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -124.87 122.64 37.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -131.67 119.74 21.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 61.14 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -124.36 138.67 54.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 71.15 110.859 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.5 130.01 25.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 63.01 110.868 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.51 137.37 53.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.91 135.71 34.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 62.42 110.902 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -141.09 123.89 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 73.4 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -116.28 130.14 56.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.891 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -131.64 128.76 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 65.03 111.147 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.12 117.0 14.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.953 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -120.1 129.11 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 71.52 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.574 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.4 OUTLIER -130.56 125.68 34.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 74.44 110.942 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.47 129.18 46.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.945 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.71 143.58 6.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 64.13 110.918 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.522 HG23 ' HA ' ' P' ' 102' ' ' SER . 41.7 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 65.22 111.155 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . 0.71 ' N ' HG23 ' A' ' 29' ' ' THR . 12.5 p-80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.794 0.33 . . . . 64.45 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -164.31 158.57 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.907 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -111.1 127.88 55.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 63.33 110.975 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -135.63 139.1 10.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 53.32 112.514 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.792 HG23 ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -132.5 125.0 29.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 73.32 111.13 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -122.27 117.08 25.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.41 110.902 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -119.91 126.18 50.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.184 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 98.9 p -132.9 128.81 37.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 72.24 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -131.22 139.22 49.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 51.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -135.3 133.74 39.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.951 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -133.65 137.09 45.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 74.22 110.885 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.76 128.62 39.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.41 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -127.34 115.84 19.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 42.1 110.905 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.039 -0.528 . . . . 74.41 110.953 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -139.54 119.28 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 65.01 110.88 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 3.1 p -135.27 138.57 43.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.896 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.96 142.67 32.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 74.12 110.854 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.23 128.52 50.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 63.04 110.868 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.05 122.92 23.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 65.44 111.143 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -144.26 122.04 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 64.12 110.939 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -127.8 122.33 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 63.22 110.896 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -137.28 141.87 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 64.12 110.88 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 8' ' ' SER . 6.3 m -141.72 159.21 21.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.5 111.186 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -135.69 141.95 45.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.936 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -142.39 115.12 8.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.918 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.41 HD23 ' C ' ' I' ' 126' ' ' LEU . 1.8 tt -121.98 136.31 54.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.931 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . 0.405 ' HE1' ' HA3' ' A' ' 4' ' ' GLY . 1.7 mmt -131.5 123.96 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 70.44 110.858 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -122.18 130.38 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.22 110.909 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 2' ' ' SER . 5.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 64.44 111.159 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.829 0.347 . . . . 75.31 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -165.57 156.76 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.846 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -113.82 126.34 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 74.23 110.87 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . 0.526 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -137.03 136.62 8.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 74.24 112.4 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . 0.616 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.7 OUTLIER -132.69 122.29 24.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 64.31 111.163 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -123.68 115.78 21.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 63.25 110.878 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -120.32 125.83 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.22 111.097 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . 0.43 ' HB2' HG22 ' B' ' 23' ' ' VAL . 98.1 p -134.18 124.79 26.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.87 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -133.95 141.68 47.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.874 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.62 135.36 44.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.899 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 3.6 p -129.47 138.81 51.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 64.41 110.903 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 129.34 41.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.902 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -125.16 115.4 20.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.955 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.612 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -118.94 136.65 53.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 53.1 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.89 119.51 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.865 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 3.2 p -136.9 136.05 38.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 53.15 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . 0.411 HH11 HD12 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -144.69 141.33 29.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.932 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -124.39 130.72 53.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.11 110.887 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.42 125.36 34.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.134 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.48 123.68 16.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 75.45 110.896 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -130.75 122.41 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.01 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -135.29 139.37 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.85 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.653 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.8 m -142.3 156.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 64.23 111.118 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -137.8 144.09 41.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 71.2 110.982 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -141.21 118.77 11.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . . . . . . . . . 1.6 tt -120.66 137.45 54.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 73.31 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . 0.423 ' HE2' ' HA3' ' D' ' 4' ' ' GLY . 1.8 mmt -130.35 125.67 35.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.881 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -121.04 130.11 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 42.1 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.162 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.32 . . . . 74.54 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 91.7 p -149.82 169.47 21.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 71.15 110.903 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.96 126.96 54.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.878 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.539 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -138.67 137.36 8.65 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.713 -0.756 . . . . 73.3 112.493 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.847 ' HB ' HD23 ' C' ' 26' ' ' LEU . 10.8 t -126.66 128.43 46.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 75.2 111.196 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . 0.482 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 23.5 t80 -120.68 119.99 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.865 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . 0.67 HG23 ' HB2' ' C' ' 24' ' ' GLN . 2.5 m -126.36 124.87 41.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 71.51 111.106 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . 0.655 ' OG ' HG13 ' E' ' 23' ' ' VAL . 7.9 m -143.09 144.66 32.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 61.42 110.855 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -147.1 144.86 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 54.13 110.93 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -130.81 132.07 45.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 73.41 110.993 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -129.84 134.73 47.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 63.01 110.865 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . 0.529 ' NZ ' ' HB2' ' E' ' 19' ' ' ALA . 0.0 OUTLIER -135.6 134.73 39.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 73.04 110.947 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -136.49 117.06 13.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 72.21 110.951 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.89 131.5 56.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.932 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -134.41 113.99 12.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 63.53 110.857 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.85 126.98 37.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 72.15 110.867 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.478 HH21 ' HB2' ' K' ' 119' ' ' ALA . 7.9 ptm180 -130.98 133.25 45.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.832 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.18 127.13 55.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.9 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . 0.478 ' HB2' HH21 ' K' ' 117' ' ' ARG . . . -134.04 123.39 24.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 71.24 111.077 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -143.72 126.47 16.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.893 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.81 136.39 47.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.12 110.845 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.33 145.3 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.869 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.9 m -142.38 150.57 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 44.51 111.165 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.05 139.66 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.13 110.934 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 23.4 m95 -132.44 134.47 45.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.99 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.698 HD21 ' OD1' ' K' ' 128' ' ' ASN . 7.3 tt -139.26 136.26 34.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 62.43 110.885 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -138.33 123.58 19.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.44 110.856 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . 0.698 ' OD1' HD21 ' K' ' 126' ' ' LEU . 2.2 m120 -124.28 134.72 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 72.04 110.894 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.02 111.199 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 t60 . . . . . 0 CA--C 1.526 0.034 0 CA-C-O 120.807 0.337 . . . . 71.5 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 91.3 p -150.91 171.76 16.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 64.04 110.834 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . 0.447 ' NE2' HD21 ' D' ' 28' ' ' ASN . 0.6 OUTLIER -113.54 125.39 54.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 63.44 110.962 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.413 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -139.83 136.17 7.63 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.782 -0.723 . . . . 72.55 112.521 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.431 ' HB ' HD23 ' F' ' 26' ' ' LEU . 10.5 t -129.83 127.72 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 75.32 111.092 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -119.16 120.46 37.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 75.53 110.83 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 1.9 m -122.08 125.32 45.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 71.32 111.15 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . 0.757 ' OG ' HG13 ' D' ' 23' ' ' VAL . 7.3 m -144.5 140.97 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 62.25 110.862 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.73 145.82 27.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 73.15 110.854 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.43 129.9 45.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.896 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 13.1 t -128.18 134.43 49.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.071 -0.513 . . . . 52.33 110.882 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.59 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -135.28 134.96 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 51.22 110.922 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -134.32 116.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.526 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -117.73 131.19 56.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 72.45 110.889 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -133.05 113.94 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 63.41 110.858 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.8 124.79 30.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.832 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.56 129.6 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.83 127.18 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 63.23 110.835 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.62 125.77 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.09 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -139.86 127.1 21.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.959 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.42 139.39 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.942 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -143.98 142.67 30.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.32 110.897 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.76 146.74 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 73.14 111.098 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.87 139.14 52.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.914 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -132.66 136.61 46.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.95 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.669 HD13 HD13 ' K' ' 126' ' ' LEU . 5.9 tt -139.02 135.64 34.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.851 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 10.2 mmt -135.6 125.41 25.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.893 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . 0.632 ' OD1' HD21 ' L' ' 126' ' ' LEU . 2.1 m120 -124.25 136.06 53.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.879 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 54.11 111.184 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . 0.434 ' O ' HG23 ' G' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.338 . . . . 72.11 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 142.12 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 73.23 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . 0.588 ' NE2' HD21 ' G' ' 28' ' ' ASN . 0.5 OUTLIER -103.79 127.11 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.929 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.514 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -139.62 139.08 9.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 75.2 112.517 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.609 ' HB ' HD23 ' E' ' 26' ' ' LEU . 3.3 t -131.82 127.2 36.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 71.24 111.143 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -121.47 124.8 45.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.86 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 120.58 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.44 111.129 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.84 128.22 46.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.859 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.23 119.16 23.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.86 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.41 129.19 56.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.13 110.919 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 13.1 m -133.4 134.54 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 65.41 110.872 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.95 133.52 33.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 72.4 110.916 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -133.1 122.23 23.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.877 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -123.59 131.86 53.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.061 -0.518 . . . . 75.11 110.927 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.68 109.56 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.843 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.3 122.12 28.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.899 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.14 134.63 47.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.871 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.88 128.64 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 63.22 110.892 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.36 133.87 44.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 70.51 111.098 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -136.95 124.5 22.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 74.25 110.914 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -126.57 120.28 29.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 72.13 110.897 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -138.33 143.5 39.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.979 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.4 m -142.78 154.13 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 72.53 111.135 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.03 143.42 50.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.886 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -144.14 126.01 15.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.906 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' N' ' 126' ' ' LEU . 5.5 tt -131.49 129.26 40.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.939 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.48 128.69 50.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.898 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -131.64 134.61 46.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 62.13 110.875 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.25 111.136 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . 0.405 ' CG ' ' HG1' ' H' ' 29' ' ' THR . 60.6 m170 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.344 . . . . 74.24 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.02 141.76 5.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 62.52 110.78 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.04 125.06 50.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 70.22 110.851 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.574 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -140.67 137.87 8.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.741 -0.742 . . . . 54.03 112.532 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' F' ' 26' ' ' LEU . 3.9 t -130.35 130.93 45.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 73.02 111.17 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -119.18 130.01 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.91 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.61 118.24 26.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.178 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.92 124.52 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 63.25 110.916 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -131.51 120.11 22.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -113.14 127.39 56.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 50.54 110.93 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 13.2 m -133.95 135.35 43.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.786 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.656 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.6 OUTLIER -140.61 133.65 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 63.33 110.923 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -133.64 123.53 25.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.697 HD22 HD22 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -124.12 133.65 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.32 110.881 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -136.75 110.15 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.883 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.16 122.47 28.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.861 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' F' ' 14' ' ' LEU . 0.0 OUTLIER -131.29 134.91 46.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.886 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.36 130.89 53.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.867 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.48 132.65 42.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 51.12 111.08 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -137.0 125.59 23.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.868 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -129.28 120.91 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 72.41 110.874 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -137.06 143.64 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 70.1 110.894 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 14.4 m -142.84 151.41 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.14 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -131.63 144.75 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.35 110.952 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -142.5 128.8 19.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 62.02 110.907 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.986 HD13 HD13 ' M' ' 126' ' ' LEU . 4.3 tt -129.46 129.47 44.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 62.42 110.956 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 2.1 mmt -123.16 133.18 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 71.52 110.867 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -130.95 132.92 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 63.42 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 71.12 111.127 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 38.9 m170 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.735 0.302 . . . . 65.4 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 44.6 m -76.52 138.85 40.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.848 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -119.65 140.58 50.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 62.35 110.912 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.28 140.45 8.35 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 62.3 112.505 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . . . . . . . . . 3.9 t -132.41 135.0 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 74.43 111.165 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -128.87 128.85 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 62.41 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 127.8 47.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.32 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.9 126.85 31.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.931 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -129.01 115.45 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 73.21 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -111.77 129.5 56.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.86 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.11 134.64 36.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 65.31 110.873 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 135.37 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 71.4 110.84 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -133.84 126.1 29.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.936 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' P' ' 114' ' ' LEU . 0.2 OUTLIER -129.76 123.17 30.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 43.51 110.905 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.78 114.27 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.852 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.0 124.35 30.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 64.14 110.797 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.495 ' HB2' HD12 ' G' ' 14' ' ' LEU . 7.7 ptm180 -130.7 138.9 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.13 136.44 52.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 70.12 110.916 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.27 124.05 28.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.101 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -131.99 122.59 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 64.51 110.868 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -134.39 121.59 21.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -138.55 143.04 39.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 71.31 110.888 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.637 HG12 ' HA ' ' G' ' 8' ' ' SER . 13.8 m -141.0 159.56 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 75.42 111.162 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -137.48 137.44 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.32 110.898 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -135.21 122.86 22.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 71.45 110.924 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' P' ' 126' ' ' LEU . 8.4 tt -123.75 130.86 53.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.929 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.402 ' HE2' ' CA ' ' G' ' 4' ' ' GLY . 5.6 mmt -127.03 125.2 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.902 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -126.91 131.99 51.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 64.51 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.32 111.161 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 73.35 110.851 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . 0.522 ' HA ' HG23 ' H' ' 29' ' ' THR . 45.1 m -75.37 139.11 42.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.794 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -120.28 139.98 51.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 72.11 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.33 139.15 7.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 44.14 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . 0.413 HG22 ' HB3' ' H' ' 26' ' ' LEU . 4.8 t -129.57 136.88 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 64.22 111.131 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -130.08 127.83 40.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 64.45 110.917 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.29 127.09 45.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 72.04 111.132 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.05 127.08 33.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 44.0 110.875 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -128.73 114.81 17.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 71.54 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.92 129.25 55.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.945 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.26 134.41 36.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 54.11 110.86 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.32 134.97 36.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.41 110.956 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.12 126.13 31.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 64.54 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.737 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -128.65 123.81 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.942 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.32 113.08 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.916 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.17 127.28 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 73.01 110.877 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . 0.423 HH22 ' HB2' ' P' ' 119' ' ' ALA . 7.6 ptm180 -129.95 140.11 50.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.89 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.6 138.24 54.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.21 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -133.2 123.23 25.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 62.42 111.128 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -132.53 123.21 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.891 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -138.51 119.43 14.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.31 110.91 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -138.8 142.53 38.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 53.21 110.9 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 17.7 m -142.72 156.37 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 54.55 111.112 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . 0.618 ' HB2' HG23 ' H' ' 7' ' ' THR . 0.2 OUTLIER -139.75 134.87 32.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.892 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -134.79 123.55 23.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.807 HD13 HD13 ' O' ' 126' ' ' LEU . 8.8 tt -122.36 132.67 54.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.907 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . 0.404 ' N ' HD23 ' P' ' 126' ' ' LEU . 5.6 mmt -125.45 127.63 46.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.915 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -124.7 133.4 53.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 70.32 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 93.5 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 71.54 111.095 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.735 0.303 . . . . 63.31 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' OG ' HG23 ' I' ' 129' ' ' THR . 0.8 OUTLIER -154.5 160.73 41.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 54.25 110.906 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.23 165.5 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.917 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.46 134.61 4.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.734 -0.746 . . . . 64.52 112.504 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 p -127.04 122.44 34.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 65.12 111.153 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.58 112.49 14.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 65.02 110.812 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 m -127.03 148.14 50.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.503 . . . . 74.43 111.169 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.612 ' HA ' HG12 ' I' ' 123' ' ' VAL . 10.9 t -143.36 135.15 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 54.54 110.785 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.98 137.86 39.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.904 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -146.1 124.1 12.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.41 110.917 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.7 124.75 25.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 65.33 110.871 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -136.79 130.79 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 75.4 110.83 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.21 150.67 51.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.964 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' HG3' ' I' ' 117' ' ' ARG . 3.1 pp -139.08 130.14 26.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 74.25 110.905 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.21 122.27 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 75.53 110.906 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.18 138.58 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 73.22 110.922 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -137.16 127.53 26.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 72.35 110.847 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -124.8 121.21 33.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 65.11 110.853 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.98 139.14 52.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 35.14 111.105 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -138.98 124.19 19.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.43 123.34 47.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 75.34 110.911 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.23 125.25 43.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.6 t -141.28 130.15 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.155 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -137.09 149.18 47.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.12 110.924 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -144.47 132.32 21.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 74.51 110.912 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.748 HD12 ' O ' ' I' ' 104' ' ' GLY . 61.2 tp -124.23 137.67 54.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 63.02 110.946 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.485 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 3.6 ptp -130.38 135.12 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 71.21 110.914 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -157.01 176.89 12.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.9 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.145 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 3.5 p80 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.813 0.339 . . . . 62.35 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.05 161.89 41.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 64.23 110.879 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.84 162.48 18.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 75.14 110.888 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.07 136.84 5.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.795 -0.717 . . . . 64.32 112.491 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 6.6 p -124.21 121.49 35.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.829 0.347 . . . . 54.21 111.167 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.35 119.08 23.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 74.21 110.853 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.403 HG23 ' HB3' ' J' ' 124' ' ' GLN . 2.4 m -120.19 149.01 42.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 60.42 111.15 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -139.38 135.32 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.869 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.13 136.85 35.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.936 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -144.46 125.46 14.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.265 -0.425 . . . . 75.43 110.91 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.29 127.63 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 74.52 110.8 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -134.1 134.37 42.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 74.13 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.8 147.3 50.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 71.54 110.948 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -141.37 126.47 18.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 73.44 110.92 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.37 122.97 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.955 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.03 137.45 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 51.11 110.83 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ptt85 -136.66 124.54 22.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.33 110.822 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -127.87 122.38 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.824 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.557 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -127.29 139.28 53.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.15 111.109 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -138.95 125.08 20.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 63.23 110.945 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.52 126.42 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 73.43 110.845 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -122.98 124.97 44.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.856 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.429 HG13 ' OG ' ' J' ' 108' ' ' SER . 93.6 t -142.27 127.97 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 55.24 111.145 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -138.85 149.89 45.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.919 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -143.47 131.74 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.916 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 61.6 tp -125.44 138.25 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 75.51 110.935 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -129.95 135.06 47.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.897 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -155.68 176.83 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 70.24 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 61.1 111.105 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 72.21 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.592 ' CB ' HG23 ' K' ' 129' ' ' THR . 1.2 p -154.05 156.05 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 51.54 110.918 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.08 150.52 15.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.01 110.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . 0.486 ' HA3' ' HE3' ' K' ' 127' ' ' MET . . . -139.96 134.22 6.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 55.02 112.515 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p -125.65 119.75 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 71.15 111.217 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 113.5 15.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -127.97 147.31 50.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.165 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.654 ' HA ' HG12 ' K' ' 123' ' ' VAL . 9.1 m -136.16 135.31 39.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 64.24 110.786 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.01 121.53 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 72.12 110.886 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -124.07 129.65 51.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.956 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -134.27 138.91 45.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 64.41 110.839 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -148.3 139.44 23.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 75.14 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -137.1 136.04 37.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 42.21 110.916 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.22 126.86 38.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 64.04 110.967 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.71 126.22 32.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 72.3 110.893 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 122.02 18.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.881 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.428 ' NE ' HD11 ' L' ' 114' ' ' LEU . 7.8 ptm180 -125.91 136.46 53.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.887 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -130.16 136.76 49.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 73.13 110.87 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.25 131.46 45.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 70.32 111.076 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.51 124.31 33.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.908 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.79 122.0 34.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.32 110.887 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -124.13 119.32 29.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 74.41 110.843 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.23 134.36 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 61.25 111.094 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -143.28 127.54 17.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 73.25 110.978 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -123.46 128.83 50.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.914 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.696 HD23 ' O ' ' K' ' 104' ' ' GLY . 0.4 OUTLIER -132.84 135.89 45.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 130.1 19.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -164.49 154.02 13.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.862 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 65.11 111.187 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 75.44 110.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -153.35 156.0 37.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.859 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.68 147.3 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.911 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.32 134.45 5.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 45.23 112.525 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.2 p -123.83 118.74 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 72.45 111.142 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.17 119.25 23.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 64.24 110.823 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -123.81 146.53 48.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 61.32 111.1 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.616 ' HA ' HG12 ' J' ' 123' ' ' VAL . 8.7 m -133.48 135.57 44.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 74.45 110.84 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.55 119.17 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.871 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -124.09 129.5 50.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.4 110.893 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 13.0 t -133.86 140.52 46.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.037 -0.529 . . . . 64.4 110.864 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -144.86 140.39 28.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -135.61 135.9 40.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 74.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 126.27 35.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.898 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -132.05 126.99 35.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 71.12 110.785 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.19 119.4 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 74.31 110.925 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -124.56 133.8 53.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -133.57 137.17 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.854 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.5 131.92 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.43 111.091 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.65 125.04 37.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 51.44 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -125.01 123.8 40.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.807 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -123.37 118.66 28.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.885 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -132.88 133.43 58.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 64.24 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . 0.526 ' HB3' HG23 ' L' ' 107' ' ' THR . 1.5 tp-100 -143.15 127.7 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.885 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 15.7 t-105 -125.5 131.11 52.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 70.32 110.873 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' J' ' 105' ' ' THR . 0.4 OUTLIER -132.33 139.99 48.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.913 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.9 129.55 20.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.877 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -165.31 154.12 12.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.867 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 65.05 111.104 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.848 0.356 . . . . 64.51 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.93 156.1 41.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 45.2 110.893 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -157.2 140.36 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.0 128.23 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 60.05 112.474 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 5.8 p -121.62 122.28 39.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.329 . . . . 63.45 111.185 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.93 112.69 12.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.016 0.436 . . . . 75.24 110.843 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 24.0 m -128.88 148.9 50.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.03 111.126 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.636 ' HA ' HG12 ' M' ' 123' ' ' VAL . 68.8 m -141.22 135.32 30.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.838 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.21 119.7 19.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.873 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -123.48 122.86 39.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 63.34 110.919 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.7 140.66 50.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.3 110.927 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -152.69 135.2 15.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.863 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -131.15 135.53 47.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.937 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.18 115.0 18.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.22 122.69 43.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.843 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.35 119.0 20.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.851 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.492 HH11 HD11 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -131.3 139.53 49.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 74.13 110.856 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -137.9 145.69 42.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.798 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.5 143.34 50.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.071 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.35 134.01 31.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.847 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -139.93 136.69 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 54.35 110.799 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -128.26 118.34 23.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.866 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.09 116.24 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.53 111.127 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . 0.791 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.0 OUTLIER -147.45 139.13 24.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.982 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.2 p-90 -141.74 140.55 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 70.32 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 HG23 ' M' ' 105' ' ' THR . 2.3 tm? -127.45 127.3 43.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 73.25 110.953 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.569 ' N ' HD22 ' E' ' 26' ' ' LEU . 0.6 OUTLIER -120.05 131.35 55.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.844 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -163.98 154.25 15.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . 0.525 HG22 ' HB3' ' K' ' 102' ' ' SER . 18.6 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.14 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.99 156.24 41.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 73.42 110.85 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -153.65 136.14 15.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.121 -0.49 . . . . 72.31 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.44 128.41 4.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . 0.672 HG22 HD12 ' N' ' 126' ' ' LEU . 7.7 p -119.95 121.51 39.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 65.14 111.128 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.43 117.55 19.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.915 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 24.4 m -124.6 149.24 47.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 73.13 111.088 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.415 ' HA ' HG12 ' L' ' 123' ' ' VAL . 68.7 m -137.83 135.41 36.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.939 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -136.55 117.11 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 110.795 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -123.09 123.38 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 75.13 110.968 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.91 139.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.862 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -148.44 137.07 21.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 54.24 110.942 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -130.7 134.06 46.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 60.22 110.92 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.84 116.23 20.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 71.32 110.89 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.9 122.76 41.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 75.42 110.912 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.33 119.87 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 62.21 110.871 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.5 137.68 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 74.42 110.912 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -138.74 143.06 38.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.881 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -129.63 140.39 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 54.43 111.074 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -139.87 135.56 33.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.936 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -140.41 136.3 32.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.02 110.851 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -125.95 117.45 23.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.804 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.35 118.33 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.15 111.13 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.07 134.4 19.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.883 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . 0.456 ' CZ3' ' HE1' ' F' ' 27' ' ' MET . 1.6 p-90 -139.96 140.42 36.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.944 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.654 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.3 tm? -123.84 128.01 48.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.02 110.882 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . 0.456 ' HE1' ' CZ3' ' F' ' 25' ' ' TRP . 0.9 OUTLIER -123.24 129.89 52.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.871 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -164.94 153.84 12.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.888 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . 0.443 HG22 ' HB3' ' N' ' 102' ' ' SER . 19.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 73.51 111.146 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.807 0.337 . . . . 73.11 110.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . 0.567 ' HB3' HG23 ' O' ' 129' ' ' THR . 34.3 p -174.57 160.09 3.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.13 110.909 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -159.0 138.35 11.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.907 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.96 128.24 5.79 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 64.21 112.53 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 16.3 p -121.69 119.28 31.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 41.32 111.128 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -128.45 121.77 29.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.33 110.929 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -134.23 143.14 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.052 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.625 ' HA ' HG12 ' O' ' 123' ' ' VAL . 2.2 t -133.7 135.21 43.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.896 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.91 115.67 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.857 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -121.02 121.46 38.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.981 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -129.76 143.2 50.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 72.4 110.801 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -157.04 137.51 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 71.43 110.917 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -135.35 140.03 44.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.935 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.58 123.14 28.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.94 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -125.8 124.57 41.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.924 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.42 126.55 28.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 65.11 110.833 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . 0.558 ' NH1' HD13 ' O' ' 114' ' ' LEU . 7.2 ptm180 -131.46 139.59 49.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 73.03 110.85 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.74 138.19 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.24 110.88 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.43 139.33 50.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 72.22 111.136 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.22 134.09 28.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.93 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.55 134.54 32.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 71.03 110.852 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.25 136.98 53.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.927 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' M' ' 106' ' ' PHE . 24.2 t -137.96 133.54 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 72.15 111.11 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.54 130.67 21.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 52.22 110.957 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.07 130.32 44.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 71.51 110.93 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.55 HD22 ' O ' ' O' ' 104' ' ' GLY . 3.2 tm? -128.28 132.18 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 74.22 110.915 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.417 ' H ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -134.13 129.81 36.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 55.31 110.942 179.795 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.45 162.58 19.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 64.53 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 74.01 111.117 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.797 0.332 . . . . 71.04 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -173.82 161.39 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.844 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -155.36 133.46 11.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 128.76 5.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 64.03 112.539 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . 0.843 HG22 HD12 ' P' ' 126' ' ' LEU . 16.1 p -120.68 119.88 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 74.12 111.097 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -127.09 125.51 41.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 63.22 110.891 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -129.75 142.82 50.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.093 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -130.84 134.94 47.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.869 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.1 112.96 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 74.05 110.886 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -121.31 121.21 37.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 72.52 110.962 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 8.1 t -128.72 142.15 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 31.35 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -152.61 139.27 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 72.2 110.879 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -133.21 138.28 46.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -130.04 120.06 24.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 62.14 110.905 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -126.48 123.14 37.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.863 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.12 124.16 25.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 61.14 110.86 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . 0.592 ' NH1' HD13 ' N' ' 114' ' ' LEU . 6.8 ptm180 -131.59 136.49 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 71.15 110.847 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.24 137.98 44.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 63.01 110.827 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.99 140.07 51.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 71.23 111.05 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.57 133.96 31.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 62.42 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.97 132.53 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 73.4 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -124.79 137.67 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.883 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.48 129.99 23.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 65.03 111.097 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -141.21 129.0 21.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.944 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.21 128.76 38.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 71.52 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.491 HD13 ' C ' ' H' ' 26' ' ' LEU . 3.1 tm? -129.06 132.4 47.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.961 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . 0.48 ' H ' HD22 ' H' ' 26' ' ' LEU . 0.0 OUTLIER -135.59 128.48 31.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 72.23 110.842 179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . 0.486 HD21 ' NE2' ' P' ' 103' ' ' GLN . 0.2 OUTLIER -165.18 164.93 20.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.13 110.841 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 65.22 111.161 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 64.45 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.33 166.69 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.84 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.1 127.35 54.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.084 -0.507 . . . . 63.33 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . 0.748 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -135.31 138.99 10.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 53.32 112.448 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.704 HG23 HD13 ' A' ' 26' ' ' LEU . 1.1 m -128.97 119.19 23.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 73.32 111.142 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -116.57 126.33 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.855 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.4 122.87 34.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 73.43 111.145 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -130.76 128.12 40.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.825 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -142.56 136.01 28.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 51.21 110.858 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -133.59 130.89 39.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.54 110.983 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.46 134.68 55.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.874 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.44 128.79 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 63.41 110.905 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -134.84 125.14 26.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 42.1 110.917 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.33 137.86 54.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.05 -0.523 . . . . 74.41 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -140.01 117.18 11.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 65.01 110.887 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 27.3 m -120.78 133.67 55.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . 0.402 ' HG3' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -135.68 124.45 23.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.892 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt-85 -129.35 125.39 36.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 63.04 110.879 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.15 123.69 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 65.44 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -130.37 128.24 41.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 64.12 110.953 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.91 133.31 41.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 63.22 110.809 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -146.03 143.96 29.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 64.12 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.612 HG12 ' HA ' ' A' ' 8' ' ' SER . 10.1 m -141.1 155.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 74.5 111.11 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.02 135.08 47.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.05 110.872 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -136.49 113.45 10.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.213 -0.448 . . . . 71.34 110.938 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' J' ' 126' ' ' LEU . 4.4 tt -121.73 130.78 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.932 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.5 129.16 49.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.871 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.05 139.84 48.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 65.22 110.95 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . 0.403 HG23 ' OG ' ' A' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 64.44 111.063 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.795 0.331 . . . . 75.31 110.859 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.2 166.68 16.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.79 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -110.4 125.9 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 74.23 110.928 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . 0.476 ' O ' HD23 ' D' ' 26' ' ' LEU . . . -135.2 137.68 9.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 74.24 112.488 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . 0.698 HG23 ' HG ' ' D' ' 26' ' ' LEU . 1.2 m -129.05 119.3 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 64.31 111.122 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -117.75 126.1 51.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 63.25 110.867 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.38 121.48 32.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.112 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . 0.429 ' OG ' HG13 ' B' ' 23' ' ' VAL . 1.6 m -133.3 124.76 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.941 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -144.15 139.78 29.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 71.41 110.846 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -131.05 130.04 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.932 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.2 135.04 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.41 110.816 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.557 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -135.89 128.09 29.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 74.43 110.902 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -133.24 126.23 31.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.431 . . . . 74.1 110.949 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.02 139.63 53.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 53.1 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -137.08 119.56 15.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.852 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 27.0 m -122.27 130.6 53.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 53.15 110.843 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.89 125.37 23.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.924 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -130.05 128.74 42.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.884 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -129.03 126.26 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.108 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -132.93 127.16 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 75.45 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.23 134.97 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 72.01 110.846 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -146.12 139.25 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.21 110.903 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' D' ' 8' ' ' SER . 13.9 m -141.65 154.54 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.23 111.137 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . 0.403 ' HB3' HG23 ' B' ' 7' ' ' THR . 0.7 OUTLIER -133.12 138.58 46.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 71.2 110.947 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -130.76 115.87 17.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.998 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.789 HD13 HD13 ' I' ' 126' ' ' LEU . 4.1 tt -119.97 131.04 55.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.933 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.44 133.99 51.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 72.32 110.901 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.84 138.05 49.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 42.1 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.129 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 60.4 m170 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.816 0.341 . . . . 74.54 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . 0.525 ' HB3' HG22 ' E' ' 29' ' ' THR . 5.9 p -119.05 161.62 19.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.937 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.11 128.93 48.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.932 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.696 ' O ' HD23 ' C' ' 26' ' ' LEU . . . -137.49 137.5 8.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.69 -0.767 . . . . 73.3 112.463 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . . . . . . . . . 2.4 t -133.9 136.28 44.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 75.2 111.128 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -132.58 114.53 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 73.4 110.885 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.3 t -111.09 126.2 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.182 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.53 124.64 24.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 61.42 110.829 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.49 132.18 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 54.13 110.965 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -131.14 127.65 38.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.93 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -126.92 134.14 50.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 63.01 110.974 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 133.93 44.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.04 110.868 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -133.69 115.98 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' L' ' 114' ' ' LEU . 0.1 OUTLIER -118.32 120.96 39.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.529 . . . . 74.42 110.904 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -129.23 113.25 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.888 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -129.45 131.4 46.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.15 110.855 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.498 HH22 ' HB2' ' K' ' 119' ' ' ALA . 7.3 ptm180 -140.26 143.36 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.833 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.53 140.53 44.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.905 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . 0.498 ' HB2' HH22 ' K' ' 117' ' ' ARG . . . -137.44 123.67 20.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.118 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -134.41 129.15 34.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.957 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -136.27 129.96 32.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.857 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -140.8 144.94 35.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.886 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.654 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.9 m -140.81 154.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 44.51 111.1 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -126.34 130.57 51.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -133.36 111.04 10.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.877 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.706 HD21 ' ND2' ' K' ' 128' ' ' ASN . 1.2 tt -121.06 129.99 53.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 62.43 110.993 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . 0.486 ' HE3' ' HA3' ' C' ' 4' ' ' GLY . 0.0 OUTLIER -125.56 125.04 42.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 73.44 110.904 179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . 0.706 ' ND2' HD21 ' K' ' 126' ' ' LEU . 8.4 m-20 -128.15 134.41 49.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.04 110.911 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . 0.592 HG23 ' CB ' ' C' ' 2' ' ' SER . 3.4 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.158 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 58.7 m170 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.81 0.338 . . . . 71.5 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 5.9 p -119.57 162.64 18.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 64.04 110.853 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . 0.44 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.1 OUTLIER -103.29 126.49 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 63.44 110.94 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.603 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -136.96 135.66 7.83 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.653 -0.784 . . . . 72.55 112.416 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.654 ' HB ' HD23 ' F' ' 26' ' ' LEU . 2.8 t -132.46 129.07 38.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 75.32 111.137 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' F' ' 25' ' ' TRP . 4.3 t80 -127.77 111.66 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 75.53 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . 0.526 HG23 ' HB3' ' D' ' 24' ' ' GLN . 0.6 OUTLIER -112.23 125.97 54.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.32 111.108 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.8 124.41 23.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 62.25 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -135.12 133.67 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 73.15 110.857 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -129.3 127.78 41.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.914 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 3.3 m -127.61 135.41 50.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.33 110.862 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.623 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -130.82 134.53 46.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.513 . . . . 51.22 110.878 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -131.84 115.43 15.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.474 HD22 HD22 ' K' ' 114' ' ' LEU . 0.1 OUTLIER -118.79 122.7 43.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.901 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.33 114.11 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 63.41 110.861 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 84.4 p -129.64 130.43 45.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 75.44 110.86 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.45 HH22 ' HB2' ' L' ' 119' ' ' ALA . 7.6 ptm180 -137.89 143.86 41.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.824 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.31 140.35 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.23 110.841 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . 0.45 ' HB2' HH22 ' L' ' 117' ' ' ARG . . . -137.83 124.24 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 73.43 111.073 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -135.04 127.54 30.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.08 131.85 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 72.51 110.866 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -138.53 144.67 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 71.32 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' F' ' 8' ' ' SER . 14.2 m -140.74 150.0 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.155 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -130.42 133.11 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.919 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -129.56 111.97 13.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.968 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.582 HD21 HD21 ' L' ' 128' ' ' ASN . 1.2 tt -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.96 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.54 128.67 47.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.857 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . 0.582 HD21 HD21 ' L' ' 126' ' ' LEU . 8.8 m-20 -125.83 132.77 52.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 54.11 111.128 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' E' ' 29' ' ' THR . 5.4 m-70 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.803 0.335 . . . . 72.11 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 148.98 26.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 73.23 110.876 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.79 130.3 53.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.105 -0.498 . . . . 73.41 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.496 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -143.72 138.65 8.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 75.2 112.48 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.645 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -125.84 132.34 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 71.24 111.089 -179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . 0.662 ' CZ ' HG13 ' G' ' 23' ' ' VAL . 35.7 t80 -129.03 127.0 40.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.918 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . 0.791 HG22 ' HG3' ' E' ' 24' ' ' GLN . 11.3 p -133.35 116.2 15.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.148 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 28.0 t -133.16 134.17 43.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 73.21 110.91 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -131.61 143.37 50.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.793 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -131.24 140.98 49.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.928 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -146.63 134.23 21.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.852 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 133.24 47.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 72.4 110.866 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -125.24 115.09 19.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.853 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -120.23 121.57 39.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 75.11 110.898 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -132.61 111.12 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.853 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 75.0 m -127.17 126.6 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.87 138.55 42.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.822 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -126.92 140.19 52.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.22 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.78 123.18 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 70.51 111.074 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.86 126.23 24.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.967 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -136.68 128.25 28.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 72.13 110.934 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.7 142.98 38.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.232 -0.44 . . . . 73.35 110.899 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.636 HG12 ' HA ' ' E' ' 8' ' ' SER . 9.5 m -140.58 154.7 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.104 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.05 134.84 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.939 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -138.92 112.36 8.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.942 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.606 HD21 ' ND2' ' M' ' 128' ' ' ASN . 0.4 OUTLIER -126.71 134.54 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.1 110.887 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.71 124.18 34.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.12 110.881 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . 0.606 ' ND2' HD21 ' M' ' 126' ' ' LEU . 30.7 m-20 -126.0 140.74 52.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 62.13 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.168 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.719 0.295 . . . . 74.24 110.814 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . 0.443 ' HB3' HG22 ' F' ' 29' ' ' THR . 5.0 p -84.29 148.99 26.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.52 110.874 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.81 126.54 52.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 70.22 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.01 135.53 7.57 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.764 . . . . 54.03 112.472 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.9 132.74 43.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.855 0.36 . . . . 73.02 111.131 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -126.86 129.49 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.881 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 15.7 p -129.4 117.47 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.34 111.191 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 28.6 t -134.07 125.22 27.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 63.25 110.889 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -134.25 144.47 48.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.858 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -133.59 139.64 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 50.54 110.913 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.3 m -143.61 134.81 25.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 74.35 110.851 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -132.88 133.56 43.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 63.33 110.935 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -126.15 115.2 19.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 74.23 110.916 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.592 HD13 ' NH1' ' H' ' 17' ' ' ARG . 0.0 OUTLIER -120.01 121.09 38.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 73.32 110.969 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -134.66 109.73 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 72.55 110.911 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 75.6 m -125.92 129.88 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 74.33 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.89 137.09 42.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.833 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 139.74 53.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 70.41 110.958 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -135.6 124.32 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 51.12 111.171 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -135.43 126.9 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 73.33 110.901 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -137.51 127.58 25.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.41 110.884 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -136.82 142.25 42.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 70.1 110.917 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 m -141.07 150.2 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 75.12 111.1 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -131.8 136.09 47.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 64.35 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -136.62 115.12 11.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 62.02 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.672 HD12 HG22 ' F' ' 5' ' ' THR . 0.5 OUTLIER -124.79 134.71 52.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 62.42 110.873 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.8 125.71 36.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 71.52 110.881 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . 0.514 ' ND2' HD21 ' N' ' 126' ' ' LEU . 27.3 m-20 -121.78 139.73 53.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 63.42 110.879 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.086 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.754 0.311 . . . . 65.4 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 53.7 p -75.07 174.84 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 75.42 110.88 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.19 134.92 54.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 62.35 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.55 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -146.6 138.54 7.45 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.659 -0.781 . . . . 62.3 112.436 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.493 HG23 HD23 ' G' ' 26' ' ' LEU . 1.0 OUTLIER -133.83 132.02 39.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.317 . . . . 74.43 111.166 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -128.75 133.62 48.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 62.41 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.46 131.17 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 75.32 111.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.92 136.76 35.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.889 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -134.94 136.77 42.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.849 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -130.52 128.9 42.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.914 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -135.35 135.34 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 65.31 110.814 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . 0.627 ' CE ' HD12 ' O' ' 114' ' ' LEU . 16.1 tptt -136.36 133.52 36.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.4 110.886 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -131.03 119.66 22.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.931 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.627 HD12 ' CE ' ' O' ' 112' ' ' LYS . 0.0 OUTLIER -123.46 117.33 24.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 43.51 110.912 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.75 111.38 14.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.874 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -130.03 129.57 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.882 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.544 HH21 ' HB2' ' O' ' 119' ' ' ALA . 7.4 ptm180 -137.77 141.62 40.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.852 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.72 140.78 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.12 110.823 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . 0.544 ' HB2' HH21 ' O' ' 117' ' ' ARG . . . -135.56 123.67 22.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.156 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -137.02 124.39 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -134.93 127.29 30.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.879 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -138.38 143.7 39.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.625 HG12 ' HA ' ' G' ' 8' ' ' SER . 9.5 m -142.05 151.77 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 75.42 111.164 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -130.03 137.42 50.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.94 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -139.58 116.61 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.752 HD21 ' ND2' ' O' ' 128' ' ' ASN . 2.6 tt -125.58 132.23 52.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.23 110.922 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 124.23 38.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.875 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . 0.752 ' ND2' HD21 ' O' ' 126' ' ' LEU . 71.9 m-20 -123.33 134.83 53.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 64.51 110.883 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . 0.567 HG23 ' HB3' ' G' ' 2' ' ' SER . 8.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 72.32 111.165 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.793 0.33 . . . . 73.35 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 52.5 p -76.66 177.44 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . 0.486 ' NE2' HD21 ' H' ' 28' ' ' ASN . 0.3 OUTLIER -116.88 134.95 54.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -146.8 140.06 8.41 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 44.14 112.518 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.25 136.28 49.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 64.22 111.145 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -129.16 133.47 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 64.45 110.896 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.59 130.26 34.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 72.04 111.194 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.36 139.14 40.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 44.0 110.829 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -136.3 136.06 39.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.874 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 127.76 40.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.99 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -137.59 134.76 35.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 54.11 110.86 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' P' ' 114' ' ' LEU . 16.1 tptt -139.14 132.7 30.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.905 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -130.81 120.02 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 64.54 110.941 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' P' ' 112' ' ' LYS . 0.0 OUTLIER -122.36 118.25 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.844 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.64 109.98 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.811 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 1.2 m -129.09 131.28 47.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 73.01 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -138.99 140.59 38.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 71.21 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.09 141.8 51.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.82 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -137.33 123.53 20.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 62.42 111.096 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -136.79 126.15 24.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.921 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -137.98 125.56 22.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 53.31 110.86 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -137.54 143.89 41.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 53.21 110.92 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 14.3 m -142.96 150.21 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 54.55 111.084 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -131.63 136.47 47.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 71.21 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -139.44 117.69 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.939 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.843 HD12 HG22 ' H' ' 5' ' ' THR . 2.6 tt -126.1 132.69 51.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.69 125.47 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.948 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . 0.71 ' ND2' HD21 ' P' ' 126' ' ' LEU . 71.5 m-20 -121.91 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 70.32 110.953 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 71.54 111.142 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.815 0.34 . . . . 63.31 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.63 157.23 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 54.25 110.904 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -156.19 145.88 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.943 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.44 128.27 4.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.721 . . . . 64.52 112.536 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 p -122.55 128.58 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.76 0.314 . . . . 65.12 111.147 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -126.07 111.65 14.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.836 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.09 141.15 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.141 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.628 ' HA ' HG12 ' I' ' 123' ' ' VAL . 1.9 t -140.29 134.88 31.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 54.54 110.859 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.76 118.82 14.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 74.04 110.87 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.72 127.04 39.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.41 110.934 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -136.65 136.79 39.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 65.33 110.865 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 138.97 31.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.955 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -133.1 143.75 49.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.43 . . . . 75.1 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.56 HD12 ' HG3' ' I' ' 117' ' ' ARG . 2.5 tt -138.78 137.54 36.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.903 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.21 122.87 13.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 75.53 110.895 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.11 128.46 50.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.903 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -128.43 130.75 48.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 72.35 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -132.27 121.79 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 65.11 110.83 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.51 143.07 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 35.14 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -144.11 123.74 13.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 74.32 110.938 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -118.59 128.59 54.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 75.34 110.94 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.51 122.76 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 72.02 110.823 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.4 117.58 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.23 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.766 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.4 OUTLIER -134.39 143.64 47.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.915 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 25.5 p-90 -156.74 143.03 18.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 74.51 110.98 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB3' HG23 ' I' ' 105' ' ' THR . 0.5 OUTLIER -134.57 147.96 50.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 63.02 110.933 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.54 133.69 48.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 71.21 110.878 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -136.78 173.28 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.22 110.892 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 74.24 111.187 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 62.35 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.18 156.71 36.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 64.23 110.808 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -155.11 143.03 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 75.14 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 130.51 4.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 64.32 112.543 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -122.09 126.21 47.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 54.21 111.154 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.5 112.24 14.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.892 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 139.93 49.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 60.42 111.127 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.9 t -136.65 134.74 37.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 72.1 110.842 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.7 119.78 13.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 64.32 110.906 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -128.57 128.37 44.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.923 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -133.56 138.89 46.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 74.52 110.835 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.439 ' CG ' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -139.8 138.0 35.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 74.13 110.876 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -131.12 142.59 50.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.151 -0.477 . . . . 71.54 110.98 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tt -142.01 135.24 29.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.903 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -142.32 123.04 14.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.35 110.896 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.5 128.58 51.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 51.11 110.802 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -125.98 127.46 45.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 72.33 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -135.33 121.22 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 73.25 110.87 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.644 ' HB2' ' CE ' ' J' ' 112' ' ' LYS . . . -122.11 143.19 49.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 72.15 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -143.09 124.07 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.903 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.53 131.67 56.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.84 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -123.7 120.89 34.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -137.37 117.58 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 55.24 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.49 148.81 49.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.876 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 26.5 p-90 -152.63 134.51 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.973 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.63 148.79 49.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ptp -128.5 133.53 48.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.882 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -136.59 172.38 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 70.24 110.931 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 61.1 111.119 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.781 0.324 . . . . 72.21 110.912 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.29 155.35 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 51.54 110.9 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.32 145.04 21.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 63.01 110.962 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . 0.436 ' HA3' ' HE2' ' K' ' 127' ' ' MET . . . -137.17 128.31 4.32 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 55.02 112.501 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -121.84 125.82 47.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 71.15 111.16 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.02 111.49 17.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.11 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -117.88 139.84 50.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.155 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' K' ' 123' ' ' VAL . 6.3 m -140.03 134.87 32.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 64.24 110.835 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.94 120.51 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 72.12 110.868 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -130.38 123.51 30.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.911 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.05 136.69 51.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 64.41 110.849 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . 0.433 ' HD3' HD11 ' C' ' 14' ' ' LEU . 0.0 OUTLIER -138.95 138.41 37.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.912 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -132.49 138.0 47.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 42.21 110.968 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.679 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.1 OUTLIER -132.53 130.55 40.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 64.04 110.966 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.27 123.01 24.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.824 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.94 119.89 27.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.893 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.77 132.86 54.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 74.53 110.881 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -132.33 132.01 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' HE2' ' I' ' 112' ' ' LYS . . . -130.96 140.32 50.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.111 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -146.24 123.29 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.904 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -124.42 139.25 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -127.82 131.44 49.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.947 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.44 117.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 61.25 111.131 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -148.19 135.53 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.914 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.401 ' NE1' ' HB3' ' K' ' 106' ' ' PHE . 6.1 p-90 -139.86 148.91 42.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' K' ' 105' ' ' THR . 0.1 OUTLIER -126.91 148.73 50.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.55 110.832 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.24 130.66 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.829 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.55 153.95 17.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 65.11 111.194 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.822 0.344 . . . . 75.44 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -152.25 154.84 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.916 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -154.0 141.45 19.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.895 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.07 130.43 4.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 45.23 112.527 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -121.51 123.49 42.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 72.45 111.115 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -123.99 112.25 16.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 64.24 110.936 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.62 138.41 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 61.32 111.165 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.546 ' HA ' HG12 ' J' ' 123' ' ' VAL . 6.0 m -135.84 134.96 39.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 74.45 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -141.39 119.86 12.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.802 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -130.88 123.23 28.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 70.4 110.917 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.17 138.85 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 64.4 110.889 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . 0.695 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -136.12 138.26 41.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.969 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 11.0 t80 -132.28 136.11 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 74.31 110.961 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.695 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.3 OUTLIER -134.62 130.08 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 73.32 110.922 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.85 124.31 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.12 110.867 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.94 119.29 27.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.889 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.543 ' NE ' HD11 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -122.85 131.4 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 72.21 110.877 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -135.1 131.99 37.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.41 110.911 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -130.32 139.02 50.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.43 111.062 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.68 123.37 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 51.44 110.896 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -121.42 141.41 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -126.71 132.3 51.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -143.66 121.03 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 64.24 111.179 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 135.44 21.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.4 110.854 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -140.75 140.5 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 70.32 110.934 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.434 ' HG ' ' HA ' ' J' ' 105' ' ' THR . 0.1 OUTLIER -128.37 141.98 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 74.24 110.918 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.69 126.99 26.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.851 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -166.16 152.89 9.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.02 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 65.05 111.168 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 64.51 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . 0.414 ' HB3' HG23 ' M' ' 129' ' ' THR . 0.0 OUTLIER -156.04 158.8 38.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 45.2 110.845 -179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -153.2 148.89 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 71.14 110.866 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.17 127.89 3.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 60.05 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.15 132.53 54.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 63.45 111.171 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.32 111.76 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.915 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 136.19 53.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 72.03 111.169 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.659 ' HA ' HG12 ' M' ' 123' ' ' VAL . 2.9 t -136.97 134.31 36.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.859 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.12 132.5 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 72.35 110.84 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -141.39 127.32 19.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 63.34 110.901 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.6 134.94 47.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 75.3 110.818 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . 0.476 ' CE ' HD11 ' E' ' 14' ' ' LEU . 11.4 ptmt -137.58 126.78 24.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 74.53 110.875 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -127.78 124.13 36.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.949 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.754 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.2 OUTLIER -113.54 112.51 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 75.22 110.909 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -114.05 121.04 42.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.9 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 53.6 p -133.75 138.78 45.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.85 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.4 HH11 HD13 ' M' ' 114' ' ' LEU . 7.4 ptm180 -142.52 139.83 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 74.13 110.869 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.26 132.92 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.879 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.93 139.54 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.44 111.146 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -146.9 123.52 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.976 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -127.31 135.95 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 54.35 110.832 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -120.55 132.5 55.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.912 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.79 117.76 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.12 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -151.94 137.45 17.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . 0.451 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 4.4 p-90 -139.03 143.5 38.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 70.32 110.892 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.9 tm? -120.99 134.45 55.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.968 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.573 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.1 ptp -126.79 131.66 51.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.861 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.09 177.12 7.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.13 111.116 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.833 0.349 . . . . 73.14 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.19 157.24 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.8 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -151.89 145.38 24.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 72.31 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.82 129.38 3.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.712 -0.756 . . . . 63.31 112.503 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.11 129.95 52.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 65.14 111.123 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -131.74 113.44 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.41 136.42 53.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.171 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.55 ' HA ' HG12 ' L' ' 123' ' ' VAL . 2.9 t -132.76 134.66 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 62.22 110.843 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.19 131.5 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 64.31 110.86 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -141.46 127.0 18.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.915 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.74 132.9 44.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 64.23 110.832 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.598 ' HG3' ' HB3' ' N' ' 119' ' ' ALA . 11.3 ptmt -139.81 128.95 23.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 54.24 110.915 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -129.29 123.07 30.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.969 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.646 HD23 ' HD2' ' L' ' 117' ' ' ARG . 0.4 OUTLIER -112.02 112.84 24.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 71.32 110.929 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -115.36 122.29 45.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.924 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 53.9 p -133.19 139.64 47.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.822 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -143.3 138.38 29.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.829 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -136.37 135.11 38.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.791 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -127.69 139.74 52.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 54.43 111.113 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -148.17 124.15 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 74.44 110.855 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -126.9 137.91 53.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 50.02 110.814 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.58 135.88 54.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 72.41 110.844 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 39.0 t -145.23 121.77 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.101 -0.5 . . . . 74.15 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -151.84 136.8 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 73.23 110.937 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 3.9 p-90 -143.97 142.43 30.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.943 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.626 HD22 ' O ' ' L' ' 104' ' ' GLY . 3.4 tm? -120.76 133.49 55.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 50.02 110.94 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . 0.471 ' N ' HD13 ' F' ' 26' ' ' LEU . 2.6 ptp -127.8 129.9 47.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 74.44 110.883 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -165.48 177.2 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . 0.683 HG23 ' HA ' ' N' ' 102' ' ' SER . 3.2 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 73.51 111.178 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.768 0.318 . . . . 73.11 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.67 153.62 35.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.884 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -151.61 144.34 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.946 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.05 128.35 4.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 64.21 112.505 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -121.62 131.97 54.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.731 0.3 . . . . 41.32 111.147 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -131.3 111.7 12.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.826 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.86 134.45 55.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.32 111.141 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.576 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.7 OUTLIER -130.83 135.22 47.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.849 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.64 130.42 27.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.881 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -140.51 134.15 30.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.854 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -124.12 138.83 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 72.4 110.83 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -134.75 124.06 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.117 -0.492 . . . . 71.43 110.871 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -123.93 131.69 53.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.915 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -129.84 112.4 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 72.3 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -123.14 122.45 38.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 75.25 110.862 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.12 129.63 34.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.11 110.912 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' P' ' 114' ' ' LEU . 6.9 ptm180 -134.18 138.9 45.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 73.03 110.898 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -133.92 135.46 43.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.63 139.17 54.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 72.22 111.144 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -148.6 124.17 10.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 73.1 110.889 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -133.56 128.09 34.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 71.03 110.891 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -116.18 133.24 56.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.828 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.47 138.66 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 72.15 111.102 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.8 151.95 34.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 52.22 110.947 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -152.98 131.41 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 71.51 110.958 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.647 HD23 ' HB ' ' O' ' 105' ' ' THR . 3.3 tm? -121.22 133.47 55.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.428 ' N ' HD13 ' G' ' 26' ' ' LEU . 3.7 ptp -125.94 133.64 51.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 55.31 110.935 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -160.59 174.83 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.866 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 74.01 111.092 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 71.04 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -150.12 152.38 34.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.872 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -149.93 141.6 23.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 74.11 110.974 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.56 131.17 4.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 64.03 112.43 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.4 p -119.09 129.9 55.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.783 0.325 . . . . 74.12 111.108 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -130.77 112.26 12.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.914 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.28 132.37 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.199 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.457 ' HA ' HG12 ' N' ' 123' ' ' VAL . 0.7 OUTLIER -128.24 134.59 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 72.04 110.838 -179.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -144.66 126.89 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.816 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -139.63 131.77 28.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.919 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -126.82 136.93 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 31.35 110.834 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . 0.507 ' HE3' HD11 ' H' ' 14' ' ' LEU . 20.5 ttpt -136.32 126.3 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.869 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -121.87 133.19 54.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.507 HD11 ' HE3' ' H' ' 12' ' ' LYS . 3.3 mp -125.68 112.06 15.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 62.14 110.887 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -120.99 122.58 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.842 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.07 128.65 32.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 61.14 110.84 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -133.86 135.41 43.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.825 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -134.79 134.59 41.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 63.01 110.881 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.29 138.63 53.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 71.23 111.106 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -146.31 125.58 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 62.42 110.901 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -133.68 129.15 36.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.4 110.832 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.08 135.34 54.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.817 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 47.8 t -136.33 136.21 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 65.03 111.114 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.46 151.33 32.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.93 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . 0.48 ' CH2' ' HE1' ' H' ' 27' ' ' MET . 5.8 t90 -160.71 130.06 4.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.995 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.625 HD22 ' O ' ' N' ' 104' ' ' GLY . 3.3 tm? -121.99 133.96 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 74.44 110.925 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . 0.48 ' HE1' ' CH2' ' H' ' 25' ' ' TRP . 3.2 ptp -125.43 131.69 52.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.938 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -162.25 176.55 10.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.91 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.22 111.141 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.831 0.348 . . . . 64.45 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.06 -179.93 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 72.01 110.827 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.21 127.1 45.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 63.33 110.893 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -120.77 139.08 13.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 53.32 112.498 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.563 HG23 ' HB3' ' A' ' 26' ' ' LEU . 5.7 m -130.77 124.88 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 73.32 111.123 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -121.9 133.65 54.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.917 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . 0.766 HG23 ' HB2' ' A' ' 24' ' ' GLN . 14.2 m -138.87 120.09 14.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.113 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 27.4 t -130.53 132.83 45.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.879 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -140.23 140.62 35.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.092 -0.503 . . . . 51.21 110.826 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -131.59 127.63 37.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 75.54 110.966 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.92 134.17 55.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.903 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . 0.55 ' NZ ' HD12 ' I' ' 114' ' ' LEU . 0.4 OUTLIER -134.12 128.33 33.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.831 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -129.83 124.61 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 42.1 110.902 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.55 HD12 ' NZ ' ' I' ' 112' ' ' LYS . 0.0 OUTLIER -127.75 126.4 41.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.922 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -125.48 112.24 16.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 65.01 110.829 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 9.4 t -113.4 139.68 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 64.33 110.794 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . 0.56 ' HG3' HD12 ' A' ' 14' ' ' LEU . 6.0 ttp85 -150.36 139.26 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 74.12 110.826 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.62 135.4 29.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.836 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -136.45 123.68 21.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 65.44 111.035 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.5 123.82 28.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 64.12 110.9 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -132.68 126.05 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 63.22 110.866 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -142.16 144.9 33.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.905 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 8' ' ' SER . 11.7 m -142.77 160.59 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.5 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -139.52 139.04 36.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 73.05 110.898 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.55 122.5 24.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 71.34 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.452 HD23 ' C ' ' I' ' 126' ' ' LEU . 8.9 tt -116.2 125.7 52.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.406 . . . . 73.1 110.972 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 3.6 mmt -122.69 124.81 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.902 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -127.24 127.54 44.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.942 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.44 111.117 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 12.7 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.816 0.341 . . . . 75.31 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 -179.82 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 53.43 110.895 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -126.39 127.08 44.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.891 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.23 138.59 13.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 74.24 112.478 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . 0.434 ' HA ' ' HG ' ' D' ' 26' ' ' LEU . 5.8 m -126.37 122.97 36.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.338 . . . . 64.31 111.097 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -125.79 137.27 53.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 13.9 m -138.94 118.64 13.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 73.22 111.15 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 27.3 t -132.56 126.75 33.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 70.42 110.872 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -144.71 143.53 30.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 71.41 110.894 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.14 127.75 42.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.888 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.18 134.5 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.857 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.644 ' CE ' ' HB2' ' B' ' 19' ' ' ALA . 0.4 OUTLIER -133.98 128.46 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.899 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -127.76 125.57 40.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 74.1 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.603 HD12 ' HZ2' ' J' ' 112' ' ' LYS . 0.0 OUTLIER -129.51 125.47 36.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 53.1 110.913 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -125.0 112.19 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.862 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 9.3 t -116.21 138.5 51.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 53.15 110.86 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . 0.537 ' HD2' HD23 ' D' ' 14' ' ' LEU . 5.8 ttp85 -147.87 142.12 26.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.882 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . 0.401 ' HG2' ' HB3' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -144.51 136.7 26.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.857 -179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . 0.439 ' HB3' ' CG ' ' B' ' 12' ' ' LYS . . . -134.14 126.26 29.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.118 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.11 122.71 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 75.45 110.958 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -132.55 129.98 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.809 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -141.0 143.99 34.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.865 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' D' ' 8' ' ' SER . 15.6 m -142.46 158.17 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 64.23 111.197 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -142.81 139.95 31.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 71.2 110.932 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -129.89 123.47 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 70.25 110.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.449 ' C ' HD23 ' J' ' 126' ' ' LEU . 9.0 tt -118.17 124.73 48.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 73.31 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 3.7 mmt -121.81 127.48 50.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 72.32 110.821 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -126.4 126.91 44.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 42.1 110.895 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 73.14 111.154 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 74.54 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 147.55 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 71.15 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.59 127.45 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 75.21 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.52 142.66 13.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 73.3 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.448 ' HB ' HD21 ' C' ' 26' ' ' LEU . 7.0 t -137.29 126.77 25.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.855 0.359 . . . . 75.2 111.166 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' NE1' ' C' ' 25' ' ' TRP . 27.8 t80 -125.57 119.78 29.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.832 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -129.94 124.41 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 71.51 111.151 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 60.4 p -142.18 147.49 36.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 61.42 110.911 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.19 148.7 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 54.13 110.839 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.79 128.58 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.903 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -125.17 134.48 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 63.01 110.897 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.95 138.47 38.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.868 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -140.74 124.32 16.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 72.21 110.973 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -127.72 129.41 47.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.937 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.08 109.96 11.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 63.53 110.832 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -115.3 121.35 42.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.819 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.679 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.3 OUTLIER -130.42 144.6 51.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 73.11 110.874 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.64 138.82 27.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.824 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.46 123.28 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.092 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -129.27 122.11 28.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 71.03 110.955 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -127.93 125.37 39.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -141.47 142.59 33.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 73.35 110.908 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' C' ' 8' ' ' SER . 8.7 m -142.84 157.05 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 44.51 111.177 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -135.44 139.31 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 65.13 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -131.09 121.34 24.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.95 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.469 HD23 ' C ' ' K' ' 126' ' ' LEU . 9.6 tt -115.05 124.09 50.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.926 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . 0.436 ' HE2' ' HA3' ' C' ' 4' ' ' GLY . 3.9 mmt -121.49 124.87 45.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.843 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.63 129.07 46.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 72.04 110.881 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 37.1 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.02 111.189 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 18.9 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 71.5 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.28 148.94 30.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 64.04 110.815 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . 0.428 ' HG2' HD21 ' F' ' 26' ' ' LEU . 0.7 OUTLIER -106.91 125.52 51.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 63.44 110.84 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.626 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -130.4 136.57 8.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.55 112.48 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.587 ' HB ' HD23 ' F' ' 26' ' ' LEU . 9.8 t -135.0 127.8 31.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.786 0.326 . . . . 75.32 111.169 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -126.12 117.97 24.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 2.3 t -122.24 126.64 48.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.32 111.18 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 61.8 p -143.53 141.39 30.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 62.25 110.831 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -148.01 150.04 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 73.15 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -129.41 127.63 41.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 73.43 110.898 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 8.7 m -123.53 134.58 53.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 52.33 110.822 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.459 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.1 OUTLIER -139.8 140.02 36.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 51.22 110.947 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -138.9 125.2 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.916 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.583 HD22 HD22 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -126.69 130.0 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.45 110.932 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -130.97 110.1 11.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 63.41 110.89 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 1.3 m -115.82 122.17 44.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.852 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.646 ' HD2' HD23 ' F' ' 14' ' ' LEU . 0.2 OUTLIER -132.2 146.26 51.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 72.34 110.886 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.0 OUTLIER -149.36 139.71 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 63.23 110.858 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -138.25 123.94 19.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -126.09 122.38 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.973 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -128.6 126.62 40.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.906 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -138.65 142.35 39.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.32 110.892 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' F' ' 8' ' ' SER . 11.9 m -142.46 154.96 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.14 111.085 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -138.24 139.76 39.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 75.42 110.959 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -128.94 121.75 28.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.917 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.47 ' C ' HD23 ' L' ' 126' ' ' LEU . 9.7 tt -116.09 123.41 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.965 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 4.1 mmt -120.81 126.43 50.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.857 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.18 128.21 45.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.959 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 54.11 111.075 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 72.11 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -87.65 145.37 26.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.808 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.81 127.46 53.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.86 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.57 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.16 138.66 9.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.723 -0.751 . . . . 75.2 112.48 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.717 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.7 t -125.81 134.12 51.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 71.24 111.199 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . 0.451 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 18.3 t80 -124.68 121.96 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 72.4 110.888 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -128.62 129.08 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.205 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 68.6 p -147.17 146.83 30.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.21 110.835 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.37 149.53 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 74.34 110.861 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -130.73 127.78 39.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.927 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.66 134.75 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 65.41 110.82 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.13 141.47 36.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 72.4 110.898 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -138.74 133.46 32.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.966 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.4 HD13 HH11 ' E' ' 17' ' ' ARG . 0.0 OUTLIER -133.43 129.75 37.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.943 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -136.31 117.55 14.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -131.86 127.64 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.881 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . 0.754 ' HD2' HD23 ' E' ' 14' ' ' LEU . 8.5 mtp180 -124.97 130.39 52.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 74.4 110.851 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 119.34 33.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 63.22 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -125.56 123.42 39.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.51 111.099 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -132.31 122.27 24.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.862 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -129.72 128.52 42.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.848 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -146.08 143.59 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.35 110.897 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' E' ' 8' ' ' SER . 8.3 m -141.49 154.81 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 72.53 111.085 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.24 140.43 47.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.3 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -128.75 130.23 46.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.96 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.413 ' C ' HD23 ' M' ' 126' ' ' LEU . 7.5 tt -122.89 125.27 45.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.1 110.881 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -123.32 125.01 44.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.906 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -128.3 132.31 48.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.853 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . 0.414 HG23 ' HB3' ' E' ' 2' ' ' SER . 6.9 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.172 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.34 . . . . 74.24 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . 0.683 ' HA ' HG23 ' F' ' 29' ' ' THR . 2.0 m -87.82 144.96 26.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 62.52 110.801 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -106.88 125.0 50.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.22 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.625 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -143.68 135.01 6.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.828 -0.701 . . . . 54.03 112.516 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . 0.598 ' HB ' HD23 ' H' ' 26' ' ' LEU . 11.1 t -130.44 132.78 45.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 73.02 111.181 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -125.29 120.61 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 3.0 t -126.16 129.18 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.34 111.11 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 69.5 p -147.88 146.48 29.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 63.25 110.804 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -146.12 150.31 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 72.32 110.886 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.71 127.05 41.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 50.54 110.977 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -128.72 134.59 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 74.35 110.827 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.791 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.2 OUTLIER -140.91 141.98 34.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 63.33 110.914 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -136.71 133.2 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.861 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 129.22 37.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 73.32 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -137.29 118.04 14.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.874 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -131.12 126.09 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 74.33 110.828 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -124.63 129.13 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 64.21 110.904 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 120.68 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 70.41 110.869 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . 0.598 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -124.03 123.75 41.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 51.12 111.031 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -130.04 122.34 28.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -131.26 129.5 41.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.897 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -144.46 141.11 29.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 70.1 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' H' ' 8' ' ' SER . 13.6 m -141.74 153.07 19.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.083 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.14 138.52 42.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.123 -0.49 . . . . 64.35 110.878 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -128.49 127.76 43.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 62.02 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.42 HD23 ' C ' ' N' ' 126' ' ' LEU . 7.5 tt -124.64 124.13 41.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -122.7 129.09 51.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.52 110.84 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.73 130.76 50.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 63.42 110.869 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 71.12 111.181 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m170 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.804 0.335 . . . . 65.4 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 50.0 m -78.04 177.88 7.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.813 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -124.44 129.03 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 62.35 110.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.583 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -142.31 139.36 9.13 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 62.3 112.474 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.647 ' HB ' HD23 ' G' ' 26' ' ' LEU . 5.3 t -125.14 124.29 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 74.43 111.157 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -119.15 132.15 55.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 62.41 110.851 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.46 138.54 38.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.124 -0.489 . . . . 75.32 111.136 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.47 142.76 23.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.822 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -142.99 133.52 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.835 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.32 129.82 55.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.962 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.16 135.81 43.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 65.31 110.882 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . 0.523 ' CE ' HD12 ' O' ' 114' ' ' LEU . 1.4 tttp -140.32 143.06 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 71.4 110.872 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -135.29 127.05 29.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.33 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -128.28 126.5 40.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 43.51 110.901 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -131.18 129.55 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.884 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -139.51 134.12 31.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.842 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 140.23 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.84 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -127.49 119.68 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 70.12 110.888 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -119.4 123.53 44.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 74.35 111.101 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -129.35 131.83 46.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.51 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -138.03 118.18 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.909 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -144.58 139.36 28.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.831 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' G' ' 8' ' ' SER . 3.9 m -144.69 151.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 75.42 111.174 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -127.25 139.39 52.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 72.32 110.873 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -133.53 128.11 34.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.452 ' C ' HD23 ' O' ' 126' ' ' LEU . 8.3 tt -122.53 128.4 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.892 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.82 124.98 43.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.9 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -128.12 128.29 44.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 64.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.15 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 36.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.82 0.343 . . . . 73.35 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -76.02 177.43 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.1 110.852 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -126.04 127.22 45.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.914 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -142.73 138.63 8.49 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 44.14 112.577 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . 0.414 ' O ' HG23 ' P' ' 105' ' ' THR . 9.5 t -124.46 124.83 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.22 111.11 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.02 133.35 56.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.45 110.846 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 5.8 m -138.8 138.56 37.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 72.04 111.072 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 142.2 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 44.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -142.92 132.49 23.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 71.54 110.881 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -118.01 129.44 55.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.88 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 11.0 t -134.83 134.85 41.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 54.11 110.801 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . 0.488 ' CE ' HD12 ' P' ' 114' ' ' LEU . 1.5 tttp -139.6 142.7 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 73.41 110.905 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -135.49 126.77 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 64.54 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.887 HD13 HD13 ' O' ' 114' ' ' LEU . 0.2 OUTLIER -127.14 127.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.99 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.99 128.15 35.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 65.34 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 6.8 t -136.81 135.2 37.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 73.01 110.868 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.77 137.71 41.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.21 110.89 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 19.3 mtm-85 -126.62 120.32 29.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 63.21 110.85 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.18 123.19 41.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 62.42 111.119 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -126.17 132.74 51.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.33 110.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -137.81 116.88 12.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 53.31 110.848 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -141.16 140.11 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 53.21 110.917 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 8.0 m -145.21 149.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 54.55 111.156 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -128.21 138.18 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 71.21 110.944 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -132.21 128.7 38.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 74.53 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.458 HD23 ' C ' ' P' ' 126' ' ' LEU . 8.6 tt -122.59 128.37 50.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 63.44 110.953 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -122.41 127.43 49.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.85 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.07 128.21 45.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.884 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 71.54 111.153 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.778 0.323 . . . . 63.31 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 p -157.35 160.42 38.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.284 -0.416 . . . . 54.25 110.862 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.471 ' NE2' HG23 ' A' ' 5' ' ' THR . 2.7 tm0? -163.52 132.81 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.881 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.36 127.88 6.19 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.766 -0.73 . . . . 64.52 112.522 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' B' ' 5' ' ' THR . 1.3 p -126.21 117.8 23.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 65.12 111.141 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.91 125.41 35.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.02 110.922 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.443 HG22 ' OE1' ' I' ' 124' ' ' GLN . 12.4 t -137.47 147.91 45.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 74.43 111.125 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' I' ' 123' ' ' VAL . 27.6 t -134.58 135.29 42.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 54.54 110.892 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.18 126.83 30.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.944 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -136.46 136.24 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.927 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.51 138.12 34.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 65.33 110.836 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.58 136.83 27.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.4 110.858 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -137.74 137.58 38.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.928 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' I' ' 117' ' ' ARG . 0.8 OUTLIER -129.85 129.67 44.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.913 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -133.07 123.08 25.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.53 110.789 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -134.63 120.31 19.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HD3' HD11 ' J' ' 114' ' ' LEU . 0.4 OUTLIER -128.44 130.73 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 72.35 110.94 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.84 127.42 43.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 65.11 110.886 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.17 139.14 53.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 35.14 111.134 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.7 125.46 25.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.889 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -134.42 132.42 39.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.1 143.09 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.66 137.91 25.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.152 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.481 ' HG3' HG22 ' I' ' 107' ' ' THR . 7.6 tm0? -139.67 144.68 37.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.956 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -137.26 131.68 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.51 110.943 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.821 HD13 HG23 ' I' ' 105' ' ' THR . 38.4 tp -125.08 136.5 53.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 63.02 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -134.36 134.87 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 71.21 110.888 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -152.2 176.89 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 74.24 111.069 -179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.753 0.311 . . . . 62.35 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -157.31 160.35 38.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 64.23 110.846 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -161.76 130.12 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 75.14 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.5 128.67 6.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 64.32 112.518 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.472 HG21 HG21 ' A' ' 5' ' ' THR . 1.5 p -126.38 115.85 20.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 54.21 111.102 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.406 ' CD2' ' HB2' ' J' ' 125' ' ' TRP . 0.1 OUTLIER -136.52 132.53 35.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.869 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -132.56 151.72 51.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 60.42 111.125 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -131.81 135.88 47.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 72.1 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.08 126.78 30.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 64.32 110.899 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -135.39 137.25 42.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.948 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.85 140.2 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.848 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' J' ' 119' ' ' ALA . 0.0 OUTLIER -140.07 140.08 36.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 74.13 110.934 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.851 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.23 128.56 41.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.497 . . . . 73.44 110.927 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -134.06 123.02 23.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.922 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -134.13 119.91 19.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 51.11 110.856 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -126.31 125.76 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 72.33 110.904 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.876 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.67 139.08 50.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 72.15 111.069 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -134.87 123.83 24.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 63.23 110.966 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.75 133.41 36.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.802 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' J' ' 109' ' ' ASP . 0.1 OUTLIER -134.76 141.46 46.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.51 110.851 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.3 t -144.92 140.68 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 55.24 111.104 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -138.9 145.64 40.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 71.33 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -137.03 130.96 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 tp -125.39 136.64 53.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 75.51 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 3.2 ptp -136.92 132.57 34.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.862 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -152.71 177.05 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 70.24 110.808 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 61.1 111.183 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.786 0.327 . . . . 72.21 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 159.33 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 51.54 110.859 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -157.48 130.77 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 63.01 110.935 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.07 137.99 10.11 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 55.02 112.478 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.93 113.89 12.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 71.15 111.22 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -126.56 123.55 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 2.6 p -136.6 146.49 46.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 70.32 111.071 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.53 ' HA ' HG12 ' K' ' 123' ' ' VAL . 4.0 t -136.22 135.18 38.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.476 . . . . 64.24 110.814 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -133.92 124.74 26.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.842 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -126.66 130.18 49.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.942 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.21 135.45 48.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.9 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -146.15 123.96 11.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.909 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.54 126.75 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 42.21 110.888 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.828 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.3 OUTLIER -115.4 113.76 24.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 64.04 110.928 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -117.91 121.72 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 72.3 110.827 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 93.2 p -133.33 141.26 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.912 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.557 ' NH1' HD13 ' K' ' 114' ' ' LEU . 8.1 ptm180 -142.63 136.9 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.882 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 138.8 51.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' K' ' 112' ' ' LYS . . . -130.64 141.89 50.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 70.32 111.15 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.89 123.65 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.909 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -124.77 138.15 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 74.32 110.896 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.66 128.79 39.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.884 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.0 t -141.07 119.61 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 61.25 111.096 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . 0.727 ' HG3' HG22 ' K' ' 107' ' ' THR . 0.4 OUTLIER -152.59 137.28 16.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 73.25 110.919 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . 0.448 ' CE2' ' HB3' ' K' ' 106' ' ' PHE . 1.5 p-90 -140.42 144.09 35.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.307 -0.406 . . . . 74.24 110.987 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.68 HD23 ' HB ' ' K' ' 105' ' ' THR . 3.0 tm? -122.87 132.02 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.55 110.922 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . 0.471 ' H ' HD22 ' C' ' 26' ' ' LEU . 0.9 OUTLIER -126.03 133.01 51.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 73.31 110.873 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -164.4 135.99 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 65.11 111.081 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.798 0.333 . . . . 75.44 110.798 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.4 159.0 35.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.826 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -156.04 129.75 8.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.878 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.13 137.09 9.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 45.23 112.389 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 20.4 p -133.37 113.96 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 72.45 111.117 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -127.43 128.21 45.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 64.24 110.863 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -130.31 143.52 50.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 61.32 111.095 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.535 ' HA ' HG12 ' J' ' 123' ' ' VAL . 4.0 t -134.06 134.86 42.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.827 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -139.77 121.56 15.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.82 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -125.96 127.15 45.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 70.4 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.02 134.24 45.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 64.4 110.895 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -145.9 127.06 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 74.24 110.84 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -128.95 122.55 30.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.907 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.18 114.47 25.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 73.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -116.34 122.39 44.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.807 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 92.3 p -131.46 141.19 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.878 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.785 ' HD3' HD11 ' I' ' 114' ' ' LEU . 7.7 ptm180 -142.6 135.44 28.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 72.21 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.77 138.35 51.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.41 110.875 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CE ' ' L' ' 112' ' ' LYS . . . -131.0 139.89 50.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 74.43 111.159 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.28 125.21 17.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 51.44 110.916 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -120.66 138.91 53.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.901 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -129.16 127.32 41.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.44 110.879 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 14.0 t -143.37 123.75 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 64.24 111.133 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . 0.454 ' CG ' HG22 ' J' ' 107' ' ' THR . 0.5 OUTLIER -152.05 132.89 14.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 72.4 110.929 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' D' ' 25' ' ' TRP . 1.5 p-90 -139.26 141.0 37.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.226 -0.443 . . . . 70.32 110.868 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.587 HD22 ' O ' ' J' ' 104' ' ' GLY . 3.3 tm? -124.18 130.84 53.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.24 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -126.47 129.98 49.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.834 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -164.95 134.84 3.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 75.02 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 65.05 111.119 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.72 0.295 . . . . 64.51 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -152.14 154.79 36.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 45.2 110.883 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -154.41 130.22 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.944 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.55 128.38 6.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 60.05 112.496 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -121.04 127.58 51.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 63.45 111.167 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.26 112.09 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.926 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.26 142.61 51.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 72.03 111.119 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.613 ' HA ' HG12 ' M' ' 123' ' ' VAL . 6.8 t -138.17 135.34 35.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 72.42 110.876 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.0 121.41 18.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.35 110.847 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -133.33 125.91 30.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.951 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -136.79 125.53 23.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.897 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . 0.434 ' HE3' HD11 ' E' ' 14' ' ' LEU . 8.3 ptmt -128.54 123.72 34.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 74.53 110.898 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . 0.817 ' C ' HD13 ' E' ' 14' ' ' LEU . 10.9 t80 -117.11 136.83 52.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.984 0.421 . . . . 75.05 110.921 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.817 HD13 ' C ' ' E' ' 13' ' ' TYR . 0.0 OUTLIER -119.58 141.2 49.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.06 -0.518 . . . . 75.22 110.867 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.85 126.72 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 64.23 110.865 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 61.1 m -136.97 119.26 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.893 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 141.9 50.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.897 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -140.64 142.98 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 75.25 110.841 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.73 125.83 22.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.44 111.082 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.89 127.27 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -132.31 121.2 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 54.35 110.887 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.84 116.98 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 43.7 t -126.72 140.48 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 71.53 111.18 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -150.23 152.73 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . 0.461 ' CH2' ' HE1' ' E' ' 27' ' ' MET . 3.8 t90 -150.49 130.27 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.942 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.645 HD23 ' HB ' ' M' ' 105' ' ' THR . 3.2 tm? -122.52 133.69 54.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 73.25 110.924 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.465 ' H ' HD22 ' E' ' 26' ' ' LEU . 4.4 ptp -127.49 134.06 49.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.866 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -163.53 132.88 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.872 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.179 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.757 0.313 . . . . 73.14 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -151.85 153.6 34.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 73.42 110.826 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 48.4 tp60 -153.02 129.43 10.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 72.31 110.883 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.35 129.65 5.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 63.31 112.45 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -124.52 124.63 42.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.827 0.346 . . . . 65.14 111.088 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.68 115.8 14.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.83 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.39 143.94 48.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.147 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.446 ' HA ' HG12 ' L' ' 123' ' ' VAL . 6.6 t -135.64 136.33 40.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 62.22 110.821 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.02 121.79 15.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.896 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.7 128.61 39.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.91 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m -133.54 126.69 31.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 64.23 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.729 ' HE2' HD21 ' F' ' 14' ' ' LEU . 8.3 ptmt -126.25 124.39 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 54.24 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . 0.776 ' C ' HD13 ' F' ' 14' ' ' LEU . 19.6 t80 -118.33 127.84 54.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.276 -0.42 . . . . 60.22 111.008 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.776 HD13 ' C ' ' F' ' 13' ' ' TYR . 0.0 OUTLIER -121.32 135.74 55.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 71.32 110.924 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.39 123.94 18.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.834 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 60.3 m -134.81 120.3 19.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 62.21 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . 0.605 ' NE ' HD11 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -127.8 140.45 52.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.861 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -142.12 142.35 32.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 72.23 110.851 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.528 ' HB2' ' HE3' ' N' ' 112' ' ' LYS . . . -138.61 127.44 23.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.43 111.127 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.9 130.46 51.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.946 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -131.16 123.47 28.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 50.02 110.893 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.06 117.52 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 72.41 110.851 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.98 138.33 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 74.15 111.137 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -150.45 152.33 34.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.968 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . 0.438 ' CH2' ' HE1' ' F' ' 27' ' ' MET . 3.0 t90 -158.21 129.57 6.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.921 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.63 HD23 ' HB ' ' L' ' 105' ' ' THR . 3.2 tm? -124.06 133.19 53.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 50.02 110.896 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . 0.458 ' H ' HD22 ' F' ' 26' ' ' LEU . 4.0 ptp -124.99 133.09 53.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.852 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 -164.64 132.31 3.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 73.15 110.855 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 15.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.51 111.13 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.808 0.337 . . . . 73.11 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.95 160.8 37.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.932 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . 0.715 HE22 HD11 ' P' ' 126' ' ' LEU . 0.0 OUTLIER -162.37 162.6 27.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.14 110.885 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 128.02 2.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.726 -0.749 . . . . 64.21 112.48 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . 0.608 HG21 ' CD1' ' P' ' 126' ' ' LEU . 5.0 p -121.1 134.7 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.823 0.344 . . . . 41.32 111.106 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -140.16 112.28 7.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.841 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.62 141.66 51.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 70.32 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.623 ' HA ' HG12 ' O' ' 123' ' ' VAL . 6.7 t -137.55 135.0 36.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.869 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -135.64 129.73 33.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.9 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -138.77 121.43 16.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.44 110.942 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.83 131.73 53.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.835 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.0 135.41 48.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 71.43 110.91 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . 0.594 ' C ' HD12 ' G' ' 14' ' ' LEU . 9.1 t80 -135.7 129.84 33.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.436 . . . . 73.31 110.93 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.594 HD12 ' C ' ' G' ' 13' ' ' TYR . 10.9 mp -126.88 124.13 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 72.3 110.913 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.73 123.62 40.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 75.25 110.854 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -137.98 123.96 20.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.86 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.59 145.66 47.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 73.03 110.835 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -140.7 146.08 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 73.24 110.835 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.18 143.98 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.22 111.102 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -142.87 134.37 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.1 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.52 112.7 7.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.865 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -109.38 136.08 49.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.865 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 t -141.21 133.32 29.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 72.15 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . 0.422 ' NE2' HG23 ' O' ' 107' ' ' THR . 5.5 tp-100 -139.19 121.32 15.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 52.22 110.862 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -118.41 132.04 56.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 71.51 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.612 ' HG ' HG23 ' O' ' 105' ' ' THR . 0.5 OUTLIER -126.71 132.17 51.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.922 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . . . . . . . . . 3.3 ptp -128.62 133.77 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 55.31 110.878 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.35 146.55 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 64.53 110.872 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.122 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 71.04 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 161.23 38.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.835 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.23 160.16 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 74.11 110.875 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.5 132.41 3.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 64.03 112.466 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 10.4 p -117.95 133.19 56.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.807 0.337 . . . . 74.12 111.115 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -140.09 114.96 9.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 63.22 110.902 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.02 140.62 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.12 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -133.82 135.33 43.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 72.04 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -139.94 127.1 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 74.05 110.854 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -137.71 120.52 16.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 72.52 110.937 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -124.77 131.35 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 31.35 110.865 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -129.01 136.61 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 72.2 110.939 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . 0.566 ' C ' HD12 ' H' ' 14' ' ' LEU . 10.3 t80 -134.28 131.15 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.91 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.566 HD12 ' C ' ' H' ' 13' ' ' TYR . 10.7 mp -126.17 122.69 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 62.14 110.918 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.2 122.78 38.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.849 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 12.7 m -136.98 123.02 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 61.14 110.885 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.35 47.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 71.15 110.869 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.05 143.78 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 63.01 110.894 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . 0.563 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -136.91 143.55 43.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.104 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -140.22 135.01 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 62.42 110.911 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -141.25 112.05 7.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.882 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -106.41 136.82 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.846 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.29 129.92 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 65.03 111.126 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -139.99 116.76 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.52 110.864 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -119.06 129.99 55.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 71.52 110.94 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.579 HD23 ' O ' ' N' ' 104' ' ' GLY . 0.5 OUTLIER -128.58 132.1 48.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.872 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ptp -129.41 130.05 45.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 72.23 110.919 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -164.85 144.66 7.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 64.13 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.579 HG21 ' CD2' ' N' ' 101' ' ' HIS . 14.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 65.22 111.125 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 64.45 110.828 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.09 151.14 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.798 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.06 127.57 55.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 63.33 110.912 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 26' ' ' LEU . . . -133.83 138.36 10.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.748 . . . . 53.32 112.477 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.821 HG23 HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -134.54 120.09 19.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.32 111.146 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -118.52 127.58 53.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.935 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 24' ' ' GLN . 22.2 p -128.89 116.09 18.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.19 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 25.0 p -122.3 128.81 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 72.24 110.893 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -128.62 127.62 42.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 51.21 110.831 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -129.71 130.61 45.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.886 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 13.2 t -136.82 141.68 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.075 -0.511 . . . . 74.22 110.816 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 135.49 38.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 63.41 110.907 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -129.88 121.51 26.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 42.1 110.908 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -121.29 127.18 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 74.41 110.855 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.56 115.97 12.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 65.01 110.822 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.87 141.28 46.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.847 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . 0.616 ' HD2' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -147.16 150.88 35.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 74.12 110.819 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.79 144.9 46.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 63.04 110.853 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.16 123.68 13.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 65.44 111.073 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -130.81 132.42 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 64.12 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -136.41 123.71 21.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 63.22 110.822 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -142.22 142.74 32.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 64.12 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 8' ' ' SER . 5.8 m -141.74 154.96 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 74.5 111.158 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . 0.443 ' OE1' HG22 ' A' ' 7' ' ' THR . 1.9 tm0? -128.62 134.75 48.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.05 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -135.79 118.4 15.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' J' ' 126' ' ' LEU . 9.7 tt -128.72 131.54 47.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.981 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 124.42 35.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 70.44 110.901 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.16 132.16 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 64.44 111.152 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 11.0 m170 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 75.31 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 22.9 p -122.22 151.39 41.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 53.43 110.823 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.7 125.59 54.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 74.23 110.884 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . 0.587 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -135.84 135.84 8.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.73 . . . . 74.24 112.514 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . 0.522 ' OG1' HD23 ' D' ' 26' ' ' LEU . 0.2 OUTLIER -133.06 119.3 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 64.31 111.142 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . 0.416 ' HB3' ' CE2' ' D' ' 25' ' ' TRP . 10.3 t80 -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 63.25 110.861 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . 0.454 HG22 ' CG ' ' D' ' 24' ' ' GLN . 21.5 p -126.91 116.5 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 73.22 111.158 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 25.1 p -122.97 123.57 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 70.42 110.841 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . 0.437 ' HB2' ' CD2' ' B' ' 22' ' ' PHE . 22.8 m-20 -130.57 129.26 42.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.923 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -130.4 127.73 39.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.14 110.968 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 13.0 t -136.06 145.32 45.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.82 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.84 137.1 41.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 74.43 110.934 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.05 121.97 34.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.937 HD13 HD13 ' I' ' 114' ' ' LEU . 0.2 OUTLIER -123.64 128.68 50.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 53.1 110.955 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -135.19 117.66 15.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.812 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.85 140.02 45.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 53.15 110.799 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -148.12 148.93 31.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 71.22 110.886 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.36 147.61 45.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.883 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . 0.468 ' HB3' ' HD2' ' B' ' 12' ' ' LYS . . . -141.83 127.36 18.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 73.03 111.077 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -129.3 131.35 46.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.45 110.928 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -137.77 126.69 24.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.868 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -140.63 140.74 35.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.21 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' D' ' 8' ' ' SER . 11.4 m -142.5 151.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 64.23 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -130.33 139.41 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.931 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . 0.406 ' HB2' ' CD2' ' B' ' 6' ' ' PHE . 31.6 m95 -129.27 120.52 25.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 70.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.518 HD13 HD13 ' I' ' 126' ' ' LEU . 9.1 tt -128.24 128.67 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.866 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.37 126.49 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 72.32 110.893 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.55 130.73 53.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 42.1 110.835 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.14 111.189 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.792 0.329 . . . . 74.54 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -114.35 143.68 44.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 71.15 110.822 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -110.41 129.59 55.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.933 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.58 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -137.28 138.44 9.74 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 73.3 112.55 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.68 ' HB ' HD23 ' C' ' 26' ' ' LEU . 11.6 t -128.03 134.22 49.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 75.2 111.071 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . 0.448 ' HB3' ' CE2' ' C' ' 25' ' ' TRP . 19.6 t80 -125.49 121.45 33.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.915 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . 0.727 HG22 ' HG3' ' C' ' 24' ' ' GLN . 6.5 p -129.27 122.73 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.163 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -143.03 145.14 32.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 61.42 110.864 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -147.75 151.34 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 54.13 110.9 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -136.58 142.71 43.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.935 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -135.62 139.94 44.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 63.01 110.827 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' C' ' 19' ' ' ALA . 0.0 OUTLIER -135.61 137.13 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.04 110.868 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -137.08 115.0 11.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.605 HD11 ' NE ' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.22 129.49 55.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.9 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.81 120.19 19.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 63.53 110.826 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.12 126.57 37.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.84 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.828 ' HD2' HD23 ' C' ' 14' ' ' LEU . 13.6 mtp180 -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 73.11 110.886 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.05 125.62 51.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -133.12 123.09 25.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.056 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -139.77 121.29 15.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 71.03 110.916 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -130.66 125.72 34.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.822 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -139.04 140.62 38.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 73.35 110.938 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' C' ' 8' ' ' SER . 2.9 m -143.87 152.37 16.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 44.51 111.132 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.22 145.02 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 65.13 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -143.7 114.95 7.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.4 137.65 54.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 62.43 110.92 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.62 124.21 27.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 73.44 110.892 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -121.74 129.4 52.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.04 110.913 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.02 111.126 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.804 0.335 . . . . 71.5 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -114.08 144.5 43.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 64.04 110.833 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -109.34 125.5 52.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 63.44 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.593 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -141.83 135.17 6.58 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 72.55 112.49 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.63 ' HB ' HD23 ' F' ' 26' ' ' LEU . 7.3 t -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 75.32 111.189 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -126.78 122.48 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.9 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 10.6 p -125.45 124.64 41.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.146 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 79.9 p -142.77 139.59 31.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 62.25 110.864 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -151.85 152.72 32.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 73.15 110.912 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -135.26 140.44 45.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.43 110.96 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -136.07 138.06 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 52.33 110.836 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.546 ' CE ' ' HB2' ' D' ' 19' ' ' ALA . 0.0 OUTLIER -138.07 139.45 39.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 51.22 110.904 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -135.8 116.38 13.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 74.34 110.968 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.557 HD22 ' CD2' ' K' ' 114' ' ' LEU . 0.0 OUTLIER -116.13 130.26 56.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.886 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -137.05 120.54 17.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.873 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.71 127.91 39.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.858 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.481 ' HG2' HD12 ' F' ' 14' ' ' LEU . 13.8 mtp180 -125.95 124.44 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -118.14 128.94 55.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 63.23 110.884 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -132.8 123.53 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.43 111.112 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -136.25 122.32 20.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -133.98 124.79 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.806 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 25.1 p90 -138.07 141.43 40.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 71.32 110.959 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' F' ' 8' ' ' SER . 4.6 m -142.25 153.39 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.141 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.13 148.54 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 75.42 110.902 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -142.0 116.46 9.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.911 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.45 138.68 54.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 71.45 110.944 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.52 125.79 29.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.892 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -121.68 127.37 50.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 54.11 111.171 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.312 . . . . 72.11 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 56.8 p -110.04 171.12 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 73.23 110.906 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -114.21 129.31 56.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.935 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.554 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -136.17 138.61 10.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.776 -0.726 . . . . 75.2 112.49 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.645 ' HB ' HD23 ' E' ' 26' ' ' LEU . 5.3 t -125.55 125.6 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 71.24 111.233 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -121.48 121.8 38.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 72.4 110.868 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.88 131.83 53.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 71.44 111.17 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.62 124.67 20.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.871 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -131.24 125.7 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 74.34 110.905 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -123.38 127.92 49.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.902 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.58 134.24 45.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.91 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 139.7 43.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 72.4 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -138.4 123.41 19.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 73.1 110.903 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -123.69 125.33 44.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.926 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.26 117.38 19.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.884 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.62 145.39 50.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.867 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . 0.718 ' NE ' HD12 ' E' ' 14' ' ' LEU . 7.4 mtp180 -144.11 143.4 31.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.839 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -140.32 131.1 25.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.912 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.72 123.05 23.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 70.51 111.118 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -125.94 122.42 35.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 74.25 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -130.57 120.61 24.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.13 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -140.58 142.34 35.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.35 110.912 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.613 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.1 m -141.16 153.05 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 72.53 111.159 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.13 128.91 44.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.3 110.924 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -129.38 128.59 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' N' ' 126' ' ' LEU . 3.6 tt -134.56 135.49 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.941 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.67 124.67 32.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 70.12 110.845 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -124.23 134.31 53.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 62.13 110.875 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 95.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 73.25 111.11 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . 0.579 ' CD2' HG21 ' H' ' 29' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.834 0.349 . . . . 74.24 110.837 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 56.7 p -109.52 171.13 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.268 -0.424 . . . . 62.52 110.9 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . 0.506 ' OE1' HD21 ' H' ' 26' ' ' LEU . 1.1 tm0? -114.28 125.8 54.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 70.22 110.942 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.579 ' O ' HD23 ' H' ' 26' ' ' LEU . . . -138.79 137.0 8.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 54.03 112.518 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . . . . . . . . . 7.5 t -127.42 126.18 41.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 73.02 111.152 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -119.25 121.59 40.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 74.33 110.853 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.59 131.58 55.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 74.34 111.131 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.31 123.95 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 63.25 110.899 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.45 127.19 34.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -122.2 127.57 50.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.21 -0.45 . . . . 50.54 110.924 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.2 136.19 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.905 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.528 ' HE3' ' HB2' ' F' ' 19' ' ' ALA . 0.0 OUTLIER -134.15 142.57 47.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 63.33 110.934 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -137.89 123.18 19.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.94 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.536 HD22 HD22 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -124.24 124.53 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 73.32 110.919 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -130.95 118.93 21.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.55 110.838 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 1.1 p -125.68 141.41 52.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.33 110.91 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' F' ' 14' ' ' LEU . 8.3 mtp180 -143.82 147.22 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 64.21 110.856 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -149.02 131.72 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 70.41 110.857 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . 0.698 ' HB3' ' HG3' ' F' ' 12' ' ' LYS . . . -131.82 123.66 28.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 51.12 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -124.77 122.04 36.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.895 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 72.41 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -139.65 141.49 37.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 70.1 110.864 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 13.6 m -139.68 149.31 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.12 111.175 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -130.5 130.37 44.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 64.35 110.899 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -125.47 129.93 50.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 62.02 110.916 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.625 HD13 HD13 ' M' ' 126' ' ' LEU . 2.7 tt -134.43 132.96 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.918 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.89 127.74 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.84 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -123.68 132.41 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 71.12 111.1 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 66.0 m80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.332 . . . . 65.4 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 9.7 m -102.59 179.42 4.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.868 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -117.88 145.09 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 62.35 110.904 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.408 ' O ' HD23 ' G' ' 26' ' ' LEU . . . -148.94 149.82 21.88 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 62.3 112.504 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.612 HG23 ' HG ' ' G' ' 26' ' ' LEU . 3.8 m -138.36 125.41 21.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 74.43 111.181 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -120.92 119.38 32.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 62.41 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . 0.422 HG23 ' NE2' ' G' ' 24' ' ' GLN . 0.3 OUTLIER -117.44 129.73 56.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 75.32 111.078 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.33 130.06 32.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 73.11 110.864 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -133.48 114.86 14.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 73.21 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.66 134.2 52.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 70.44 111.014 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.53 134.63 30.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.835 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.55 132.54 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 71.4 110.871 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.2 117.47 20.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.962 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -121.77 122.06 38.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 43.51 110.92 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.1 113.85 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.813 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.56 132.94 33.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.14 110.858 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.422 HH21 HD11 ' G' ' 14' ' ' LEU . 8.1 ptm180 -143.46 153.27 42.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.878 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.63 145.77 27.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.883 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.49 127.73 19.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.35 111.116 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -123.69 121.98 36.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 64.51 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -128.05 123.4 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 75.44 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.73 143.35 32.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 71.31 110.887 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' G' ' 8' ' ' SER . 5.7 m -141.1 151.6 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.113 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 137.73 52.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -136.22 127.72 28.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.889 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.707 HD13 HD13 ' P' ' 126' ' ' LEU . 9.5 tt -130.5 133.9 46.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 72.23 110.907 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.419 ' N ' HD23 ' O' ' 126' ' ' LEU . 0.7 OUTLIER -128.21 127.72 43.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.899 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -128.2 134.22 49.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 64.51 110.88 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 72.32 111.073 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 66.2 m80 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.823 0.344 . . . . 73.35 110.796 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . . . . . . . . . 10.8 m -102.44 179.5 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.1 110.852 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -118.78 144.29 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.891 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -148.81 149.37 21.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 44.14 112.472 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 3.9 m -137.2 126.75 25.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 64.22 111.12 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.25 119.23 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.871 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 129.79 55.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 72.04 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.18 131.29 34.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 44.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.32 116.2 16.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 71.54 110.84 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -110.25 134.09 52.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.897 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.79 134.56 30.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 54.11 110.92 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . 0.563 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -132.15 132.98 43.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.921 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -129.59 117.69 20.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 64.54 110.979 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.547 HD13 HD13 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -120.42 123.11 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.877 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -135.85 112.95 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.92 135.35 39.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.01 110.833 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -143.27 154.51 43.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 71.21 110.888 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.08 146.32 27.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.875 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.11 126.84 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 62.42 111.113 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.97 122.78 38.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.878 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -131.68 121.98 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 53.31 110.879 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -142.3 143.34 32.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 53.21 110.807 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.24 149.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 54.55 111.107 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 136.43 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 71.21 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -135.07 128.94 33.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 74.53 110.954 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.715 HD11 HE22 ' G' ' 3' ' ' GLN . 9.9 tt -130.94 134.27 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.36 130.95 51.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.861 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -127.59 133.41 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 70.32 110.902 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 71.54 111.214 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 63.31 110.823 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 p -130.9 150.93 51.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 54.25 110.811 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -167.44 169.04 12.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.044 -0.525 . . . . 73.12 110.923 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.81 130.22 2.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 64.52 112.484 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.4 p -125.43 121.07 32.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 65.12 111.154 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -125.44 112.23 16.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 m -125.53 147.14 49.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.43 111.159 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.66 ' HA ' HG12 ' I' ' 123' ' ' VAL . 58.4 m -146.77 134.64 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 54.54 110.817 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.61 133.61 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.874 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -143.75 125.47 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.925 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.04 143.85 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 65.33 110.834 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -147.1 145.3 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 75.4 110.821 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -140.91 134.34 29.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mp -124.26 125.39 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.25 110.948 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -127.28 122.82 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.848 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.65 120.71 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.926 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' NH1' HD11 ' J' ' 114' ' ' LEU . 1.0 OUTLIER -124.84 131.95 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 72.35 110.886 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.0 ttm-85 -128.31 128.65 45.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.11 110.857 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.77 137.49 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 35.14 111.098 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -131.59 124.1 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -119.08 124.47 46.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 75.34 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -125.58 123.56 39.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.02 110.914 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.7 t -138.63 123.04 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.103 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' HB2' HG23 ' I' ' 107' ' ' THR . 0.9 OUTLIER -129.03 148.17 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.894 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -147.63 135.41 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.51 110.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -131.57 145.01 51.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 63.02 110.923 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.466 ' HE3' ' HA3' ' I' ' 104' ' ' GLY . 1.7 ptp -133.07 144.08 49.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 71.21 110.908 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -152.65 157.29 40.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.675 HG23 ' HA ' ' I' ' 101' ' ' HIS . 1.9 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.134 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.852 0.358 . . . . 62.35 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -131.32 152.87 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 64.23 110.895 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -165.7 165.43 18.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.24 133.95 3.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 64.32 112.476 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.792 HG22 ' HG ' ' J' ' 126' ' ' LEU . 9.2 p -123.82 119.48 29.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 54.21 111.058 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -127.22 117.55 22.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.407 HG23 ' HB2' ' J' ' 124' ' ' GLN . 13.3 m -119.01 149.06 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 60.42 111.126 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 59.8 m -141.47 135.55 30.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.835 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.72 133.5 36.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 64.32 110.764 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -142.87 127.89 18.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.829 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.7 144.47 47.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 74.52 110.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.453 ' HE3' HD11 ' B' ' 14' ' ' LEU . 35.5 ttpt -144.88 148.5 33.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.911 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -137.72 133.86 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.911 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.453 HD11 ' HE3' ' B' ' 12' ' ' LYS . 2.8 mp -124.91 122.78 38.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 73.44 110.899 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -129.07 124.06 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.35 110.89 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.54 119.8 21.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 51.11 110.926 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.04 129.14 51.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 72.33 110.857 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -131.26 129.41 41.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 73.25 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.416 ' HB2' ' CD ' ' J' ' 112' ' ' LYS . . . -126.73 135.79 51.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 72.15 111.092 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -133.32 124.71 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 63.23 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.06 126.46 52.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.834 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.68 124.01 41.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.885 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 22.8 t -137.46 122.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 55.24 111.092 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -130.15 148.65 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.092 -0.504 . . . . 71.33 110.885 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -146.61 134.21 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.938 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -133.17 144.83 50.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.898 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 1.6 ptp -132.75 143.21 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.84 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -152.15 157.88 42.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 61.1 111.12 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.774 0.321 . . . . 72.21 110.822 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.59 149.89 52.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 51.54 110.825 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . 0.532 ' NE2' HD21 ' I' ' 126' ' ' LEU . 4.3 tp60 -164.43 135.84 4.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 63.01 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.71 128.32 5.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 55.02 112.47 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -125.93 117.92 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 71.15 111.134 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -125.08 119.9 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.641 HG21 HE22 ' L' ' 124' ' ' GLN . 1.3 t -129.22 147.11 51.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 70.32 111.154 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.601 ' HA ' HG12 ' K' ' 123' ' ' VAL . 5.1 t -139.87 135.04 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.809 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -135.72 128.34 30.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 72.12 110.872 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -136.69 122.31 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.976 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.74 133.17 45.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.865 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . 0.404 ' NZ ' HD11 ' C' ' 14' ' ' LEU . 0.2 OUTLIER -140.27 140.44 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 75.14 110.895 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -134.58 137.49 43.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 42.21 110.958 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.411 HD12 ' N ' ' C' ' 14' ' ' LEU . 4.7 mp -127.96 121.48 29.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.04 110.934 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -126.86 123.17 36.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.3 110.809 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -134.72 121.3 20.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.482 ' HD3' HD11 ' L' ' 114' ' ' LEU . 7.0 ptm180 -126.29 134.59 51.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 74.53 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -129.26 135.95 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.885 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.12 131.4 45.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 111.096 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.87 125.39 29.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.21 110.911 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -128.47 128.02 43.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -124.0 124.36 42.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 74.41 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 16.3 t -136.49 119.22 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 61.25 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.51 121.96 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 14.5 t-105 -117.72 129.73 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.524 ' HG ' HG23 ' K' ' 105' ' ' THR . 0.3 OUTLIER -132.5 136.8 46.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.55 110.903 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.73 132.44 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.853 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -160.45 145.71 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.863 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 65.11 111.168 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.813 0.34 . . . . 75.44 110.865 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 17.7 t -132.33 149.23 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.859 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -160.19 130.49 5.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.889 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.77 129.82 5.44 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 45.23 112.45 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -122.57 117.1 25.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 72.45 111.174 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.71 119.46 28.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.24 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 1.5 t -123.7 146.51 48.2 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.084 -0.507 . . . . 61.32 111.111 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' HG12 ' J' ' 123' ' ' VAL . 5.0 t -137.72 135.12 36.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 74.45 110.832 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -137.41 127.42 25.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 75.34 110.867 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -135.75 122.07 20.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.957 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.3 133.84 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 64.4 110.853 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . 0.407 ' HG3' ' HB3' ' L' ' 119' ' ' ALA . 0.2 OUTLIER -138.6 141.05 39.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.512 . . . . 74.24 110.897 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.5 137.04 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.638 HD13 HH11 ' L' ' 117' ' ' ARG . 4.8 mp -129.19 121.48 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.928 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -125.86 124.29 40.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 71.12 110.869 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -134.13 119.62 19.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.865 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -125.65 134.0 52.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 72.21 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -130.79 136.14 48.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.41 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.24 131.55 48.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.159 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.55 126.96 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 51.44 110.843 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.91 130.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.901 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.26 124.41 42.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.832 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 13.1 t -136.66 117.71 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 64.24 111.138 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.33 117.04 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 72.4 110.915 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -118.71 131.34 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 70.32 110.969 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.639 ' CD1' HG23 ' J' ' 105' ' ' THR . 0.3 OUTLIER -133.16 139.24 46.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.897 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.23 129.71 25.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.912 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -164.2 144.93 8.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 75.02 110.851 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 65.05 111.173 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.75 0.31 . . . . 64.51 110.818 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -144.44 153.01 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 45.2 110.876 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -168.81 133.01 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 126.1 6.19 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.753 -0.737 . . . . 60.05 112.467 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.533 HG22 HD12 ' K' ' 126' ' ' LEU . 6.5 p -129.86 122.67 29.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.337 . . . . 63.45 111.185 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -125.72 113.38 17.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.852 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . 0.439 HG23 ' HB2' ' K' ' 124' ' ' GLN . 0.2 OUTLIER -118.24 142.33 47.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 72.03 111.085 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.647 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.8 t -133.15 134.6 44.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 72.42 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.58 122.27 23.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.35 110.87 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -125.39 122.62 37.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 63.34 110.869 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.69 131.7 53.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 75.3 110.881 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . 0.571 ' HE3' HD11 ' E' ' 14' ' ' LEU . 1.3 ttpm? -145.19 121.23 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.886 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.17 124.61 37.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 75.05 110.929 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.739 HD23 ' HD2' ' M' ' 117' ' ' ARG . 0.6 OUTLIER -113.99 112.91 24.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.22 110.876 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -119.3 122.21 41.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.909 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -136.43 139.51 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 74.13 110.841 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' N' ' 114' ' ' LEU . 6.8 ptm180 -141.16 137.42 32.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.519 . . . . 74.13 110.806 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -129.5 125.81 37.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.63 135.79 53.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.089 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.45 124.2 18.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.88 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -131.22 122.26 26.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 54.35 110.864 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -113.65 132.17 55.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.921 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.39 122.02 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.53 111.161 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . 0.605 ' HB2' HG23 ' M' ' 107' ' ' THR . 0.6 OUTLIER -152.08 135.97 16.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 74.03 110.908 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB3' ' M' ' 106' ' ' PHE . 3.7 p-90 -136.86 141.46 42.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 70.32 110.88 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.773 HD23 ' HB ' ' M' ' 105' ' ' THR . 2.6 tm? -120.75 129.45 53.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.939 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.547 ' N ' HD22 ' E' ' 26' ' ' LEU . 2.6 ptp -122.48 134.02 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.839 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.23 140.03 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 73.34 110.968 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.18 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 73.14 110.89 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -143.64 154.72 43.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.838 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -162.85 130.3 3.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.076 -0.511 . . . . 72.31 110.874 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' L' ' 127' ' ' MET . . . -126.66 129.69 6.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 63.31 112.456 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . 0.984 HG22 HD23 ' N' ' 126' ' ' LEU . 7.8 p -123.13 119.32 29.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 65.14 111.119 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -127.85 115.07 18.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.885 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . 0.486 HG23 ' HB2' ' N' ' 124' ' ' GLN . 0.2 OUTLIER -116.97 139.43 50.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.13 111.121 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.597 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.8 t -131.9 134.63 45.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 62.22 110.868 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.85 120.02 15.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 64.31 110.861 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -124.22 120.11 31.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.899 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.16 131.56 53.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 64.23 110.808 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.674 ' HE3' HD11 ' F' ' 14' ' ' LEU . 1.4 ttpm? -144.94 122.95 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 54.24 110.875 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.92 122.38 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 60.22 110.929 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.674 HD11 ' HE3' ' F' ' 12' ' ' LYS . 0.8 OUTLIER -112.07 112.96 24.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.96 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -117.76 122.07 42.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.9 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -135.14 139.6 44.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 62.21 110.857 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . 0.679 ' HD3' HD11 ' K' ' 114' ' ' LEU . 6.2 ptm180 -140.95 133.96 29.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.857 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 -129.93 125.85 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.77 135.04 54.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 54.43 111.144 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.56 124.87 20.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.855 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.1 123.95 29.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 50.02 110.823 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -113.07 132.01 55.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.888 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 13.7 t -142.62 123.25 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.156 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.32 132.0 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 73.23 110.938 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -136.31 138.88 42.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 72.14 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.665 HD23 ' OG1' ' L' ' 105' ' ' THR . 3.1 tm? -119.88 128.1 53.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 50.02 110.946 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -121.55 130.59 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.834 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -164.85 139.66 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 73.15 110.944 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.14 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.756 0.312 . . . . 73.11 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -145.81 158.16 43.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.13 110.882 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -167.18 169.3 12.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 73.14 110.926 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . 0.438 ' HA3' ' HE2' ' O' ' 127' ' ' MET . . . -157.28 128.08 2.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.695 -0.765 . . . . 64.21 112.46 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -124.72 121.24 34.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.776 0.322 . . . . 41.32 111.126 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -125.8 116.05 20.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.845 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -126.33 141.89 51.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.489 . . . . 70.32 111.114 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.605 ' HA ' HG12 ' O' ' 123' ' ' VAL . 11.3 t -136.12 135.14 39.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.897 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.39 129.92 34.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 73.51 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -132.83 129.5 38.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.954 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.14 131.53 48.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.799 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . 0.67 ' CE ' HD11 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -141.17 122.08 14.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.873 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.04 127.71 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.99 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.67 HD11 ' CE ' ' G' ' 12' ' ' LYS . 0.9 OUTLIER -114.54 112.6 23.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 72.3 110.898 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -118.19 121.91 41.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.37 137.28 37.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 65.11 110.915 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . 0.518 ' HD3' HD11 ' P' ' 114' ' ' LEU . 7.7 ptm180 -140.35 136.9 33.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 73.03 110.853 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 134.27 47.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.846 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.79 135.24 51.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 72.22 111.048 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -139.97 131.87 27.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 71.03 110.892 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.89 134.96 46.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 74.34 110.927 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 28.6 t -145.77 117.42 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 72.15 111.09 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . 0.671 ' HB2' HG23 ' O' ' 107' ' ' THR . 0.0 OUTLIER -149.44 135.34 18.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 52.22 110.933 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . 0.486 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 10.0 p-90 -137.9 138.48 39.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 71.51 110.92 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.829 HD23 ' HB ' ' O' ' 105' ' ' THR . 2.0 tm? -122.98 125.42 45.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 74.22 110.875 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.598 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -126.0 132.56 51.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 55.31 110.874 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.78 148.82 9.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 64.53 110.834 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . 0.63 HG21 ' CD2' ' O' ' 101' ' ' HIS . 2.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 74.01 111.149 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 p80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.748 0.309 . . . . 71.04 110.784 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 51.1 p -145.63 159.15 43.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.783 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -165.15 165.7 19.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.925 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.3 130.36 2.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 64.03 112.425 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -119.47 119.78 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 74.12 111.175 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -127.0 117.64 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.863 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . . . . . . . . . 1.8 m -124.26 141.48 52.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.089 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.487 ' HA ' HG12 ' N' ' 123' ' ' VAL . 11.2 t -132.87 135.22 45.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.828 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -139.01 126.52 21.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 74.05 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -132.41 126.77 33.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.52 110.829 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.49 130.66 49.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 31.35 110.841 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . 0.737 ' HG3' ' HB3' ' P' ' 119' ' ' ALA . 0.0 OUTLIER -142.42 123.96 14.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 72.2 110.927 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.59 126.13 43.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.69 HD11 ' NZ ' ' H' ' 12' ' ' LYS . 1.7 mp -114.38 113.57 24.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 62.14 110.903 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -118.23 122.88 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.6 136.85 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 61.14 110.875 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -141.05 136.96 32.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 71.15 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.01 44.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.126 -0.488 . . . . 63.01 110.886 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . 0.591 ' HB2' ' HE3' ' P' ' 112' ' ' LYS . . . -125.95 135.43 51.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 71.23 111.136 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -140.0 133.03 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.432 . . . . 62.42 110.899 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -141.02 142.56 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.4 110.865 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -129.53 136.94 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.898 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . 0.431 HG13 ' OG ' ' P' ' 108' ' ' SER . 26.2 t -145.6 118.95 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 65.03 111.094 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . 0.485 ' HB2' HG23 ' N' ' 107' ' ' THR . 0.0 OUTLIER -150.07 127.94 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.939 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -139.05 136.93 35.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.52 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.767 HD23 ' HB ' ' N' ' 105' ' ' THR . 3.4 tm? -125.19 123.93 40.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 74.44 110.945 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.35 130.29 52.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.842 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.02 149.27 7.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 64.13 110.9 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.489 HG23 ' CA ' ' P' ' 102' ' ' SER . 2.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 65.22 111.196 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . 0.675 ' HA ' HG23 ' A' ' 29' ' ' THR . 8.2 m-70 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.738 0.304 . . . . 64.45 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 26.3 p -147.88 163.79 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.284 -0.417 . . . . 72.01 110.822 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -107.34 127.08 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 63.33 110.914 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . 0.466 ' HA3' ' HE3' ' A' ' 27' ' ' MET . . . -134.49 139.08 10.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 53.32 112.5 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.8 118.73 21.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 73.32 111.11 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -119.95 125.2 47.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.41 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 24' ' ' GLN . 0.9 OUTLIER -124.02 120.48 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.43 111.239 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.4 127.39 48.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.82 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.38 137.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 51.21 110.818 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -135.48 127.7 30.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.934 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -120.69 134.37 55.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.842 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -130.67 129.28 42.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 63.41 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -132.53 116.11 16.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 42.1 110.961 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.618 ' CD1' HD13 ' J' ' 114' ' ' LEU . 0.2 OUTLIER -118.75 126.09 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 74.41 110.915 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -135.03 109.86 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 65.01 110.892 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.66 133.59 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 64.33 110.852 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -138.96 139.76 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.845 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.75 149.26 45.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 63.04 110.849 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -146.0 123.47 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 65.44 111.13 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -129.73 128.7 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 64.12 110.857 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -138.08 131.18 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 63.22 110.85 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -146.19 143.63 29.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.889 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 8' ' ' SER . 14.9 m -139.78 158.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.191 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.85 135.88 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 73.05 110.9 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -135.39 114.09 11.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.914 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.532 HD21 ' NE2' ' C' ' 3' ' ' GLN . 6.5 tt -120.06 131.45 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 73.1 110.924 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . 0.482 ' N ' HD23 ' I' ' 126' ' ' LEU . 0.2 OUTLIER -127.23 126.48 42.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.867 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . 0.45 HD22 ' NE2' ' C' ' 3' ' ' GLN . 3.3 t-20 -127.26 139.4 52.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 65.22 110.846 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 64.44 111.21 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.863 0.363 . . . . 75.31 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 26.1 p -148.15 164.06 35.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 53.43 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -106.96 126.13 51.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . . . . . . . . . . . -133.51 138.28 9.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 74.24 112.497 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . 0.639 HG23 ' CD1' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -131.32 119.2 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 64.31 111.098 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -121.48 123.54 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 63.25 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.46 118.84 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.188 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.83 124.47 39.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 70.42 110.894 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -139.81 141.19 36.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.871 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -134.66 127.59 31.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.986 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -118.15 135.01 54.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 64.41 110.903 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.416 ' CD ' ' HB2' ' B' ' 19' ' ' ALA . 20.7 tptp -131.57 129.84 41.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -129.64 117.14 19.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.886 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.636 HD11 ' NH1' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -120.57 126.3 49.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 53.1 110.925 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.34 111.24 10.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.859 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 2.7 p -130.96 129.83 42.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 53.15 110.861 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -142.12 140.25 32.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.856 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.92 151.05 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.936 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.75 125.16 14.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.065 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -129.9 128.7 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.45 110.92 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -136.58 134.72 37.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.871 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -144.8 141.7 29.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' D' ' 8' ' ' SER . 17.0 m -139.51 156.16 26.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 64.23 111.11 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' B' ' 7' ' ' THR . 16.7 tt0 -138.56 139.97 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 71.2 110.853 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -131.14 115.41 16.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 70.25 110.911 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.792 ' HG ' HG22 ' B' ' 5' ' ' THR . 6.5 tt -118.66 129.86 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . 0.454 ' N ' HD23 ' J' ' 126' ' ' LEU . 0.3 OUTLIER -127.48 130.22 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.833 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -126.12 137.04 53.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 42.1 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.159 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 74.54 110.94 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 94.6 p -154.42 169.76 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 71.15 110.886 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.05 126.84 47.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 75.21 110.922 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.33 136.56 8.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 73.3 112.489 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.524 HG23 ' HG ' ' C' ' 26' ' ' LEU . 13.2 m -131.38 137.91 48.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 75.2 111.111 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -134.85 110.72 9.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.884 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 4.8 m -109.5 118.87 37.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 71.51 111.114 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.83 127.56 42.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.849 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.2 138.17 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 54.13 110.843 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -130.64 127.79 39.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.868 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 65.0 p -129.31 134.23 47.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 63.01 110.889 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . 0.549 ' CE ' HD12 ' K' ' 114' ' ' LEU . 0.0 OUTLIER -135.16 133.64 39.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.04 110.859 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -132.37 115.58 15.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.923 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.679 HD11 ' HD3' ' F' ' 17' ' ' ARG . 0.0 OUTLIER -118.32 114.58 23.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.956 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.58 113.39 18.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.83 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 18.5 p -131.12 129.99 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 72.15 110.859 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -137.73 137.65 38.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.11 110.792 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.35 143.4 50.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -141.95 122.85 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 71.24 111.109 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.03 125.34 29.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 71.03 110.872 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -132.81 120.89 22.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -135.72 141.68 44.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.861 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' C' ' 8' ' ' SER . 4.3 m -142.0 156.13 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 44.51 111.134 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' E' ' 7' ' ' THR . 1.7 tt0 -133.1 138.81 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 65.13 110.897 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -135.92 110.86 8.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.977 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.533 HD12 HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -116.95 128.09 54.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 62.43 110.872 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.33 124.03 40.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.883 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -124.7 139.1 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.04 110.836 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.02 111.145 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.5 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 95.4 p -154.34 169.44 23.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 64.04 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.45 126.31 49.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 63.44 110.877 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.568 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -133.88 135.05 7.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.82 -0.705 . . . . 72.55 112.511 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.665 ' OG1' HD23 ' F' ' 26' ' ' LEU . 5.8 m -131.29 132.73 44.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.32 111.159 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -130.62 109.32 10.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 75.53 110.896 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . . . . . . . . . 4.6 m -107.84 117.37 33.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.32 111.181 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 124.54 34.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.843 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -136.29 138.52 41.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.804 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -130.04 127.6 40.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.858 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -128.71 134.65 48.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 52.33 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.547 ' CE ' HD12 ' L' ' 114' ' ' LEU . 0.0 OUTLIER -135.1 133.84 39.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 51.22 110.923 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -130.1 115.25 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.925 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.547 HD12 ' CE ' ' L' ' 112' ' ' LYS . 0.0 OUTLIER -117.97 114.84 23.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 72.45 110.87 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -124.21 114.26 19.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 63.41 110.855 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 17.6 p -129.88 130.0 44.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.44 110.807 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . 0.638 HH11 HD13 ' D' ' 14' ' ' LEU . 8.6 ptm180 -137.4 135.06 36.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 72.34 110.815 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.78 145.17 50.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 63.23 110.929 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . 0.407 ' HB3' ' HG3' ' D' ' 12' ' ' LYS . . . -139.66 126.18 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 73.43 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.46 126.43 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.912 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -133.39 121.6 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -134.51 138.02 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 71.32 110.91 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' F' ' 8' ' ' SER . 7.6 m -142.48 152.75 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.14 111.157 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . 0.641 HE22 HG21 ' C' ' 7' ' ' THR . 2.1 tt0 -136.71 141.32 43.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 114.94 13.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 75.33 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.542 ' O ' HD23 ' L' ' 126' ' ' LEU . 0.5 OUTLIER -118.51 127.96 54.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 71.45 110.899 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . 0.414 ' HE3' ' HA2' ' F' ' 4' ' ' GLY . 0.0 OUTLIER -124.66 126.79 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.857 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -121.22 136.92 54.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 54.11 111.181 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.832 0.349 . . . . 72.11 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.26 176.37 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.876 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -119.48 130.65 55.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.41 110.925 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.54 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -140.4 138.84 9.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 75.2 112.497 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.773 ' HB ' HD23 ' E' ' 26' ' ' LEU . 12.1 t -126.18 130.55 51.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 71.24 111.128 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . 0.459 ' HB3' ' CE2' ' E' ' 25' ' ' TRP . 21.2 t80 -121.45 118.16 28.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 72.4 110.86 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . 0.605 HG23 ' HB2' ' E' ' 24' ' ' GLN . 2.7 m -125.31 121.87 35.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.115 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -139.25 142.48 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.895 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -145.23 131.36 19.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 74.34 110.894 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -120.51 132.33 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 72.13 110.923 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.75 137.46 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 65.41 110.861 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' M' ' 114' ' ' LEU . 0.0 OUTLIER -136.51 135.27 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 72.4 110.924 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -128.54 121.13 28.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 73.1 110.916 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' N' ' 114' ' ' LEU . 0.2 OUTLIER -119.83 125.05 47.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 75.11 110.906 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.15 122.63 30.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.971 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m -132.69 129.79 39.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 73.43 110.856 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . 0.739 ' HD2' HD23 ' E' ' 14' ' ' LEU . 3.3 mtp85 -131.11 125.05 32.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.918 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.82 119.83 37.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 63.22 110.915 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . 0.564 ' HB3' ' HG3' ' G' ' 12' ' ' LYS . . . -128.12 122.79 32.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 70.51 111.05 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -142.84 121.45 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 74.25 110.924 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -128.25 125.92 39.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -139.54 143.98 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.856 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' E' ' 8' ' ' SER . 6.3 m -140.99 155.36 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 72.53 111.176 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -129.15 133.27 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.855 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -129.24 109.39 11.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.946 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.732 HD22 ' N ' ' M' ' 127' ' ' MET . 0.3 OUTLIER -115.48 114.86 25.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.923 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . 0.732 ' N ' HD22 ' M' ' 126' ' ' LEU . 0.1 OUTLIER -117.11 122.44 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.943 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -122.24 136.79 54.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 62.13 110.849 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.197 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.24 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 14.9 m -129.59 176.58 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 62.52 110.821 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . 0.693 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.2 tm0? -118.98 129.99 55.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 70.22 110.865 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.434 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.71 137.39 8.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 54.03 112.511 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . 0.767 ' HB ' HD23 ' H' ' 26' ' ' LEU . 15.0 t -129.7 130.54 45.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 73.02 111.119 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -122.55 118.16 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.33 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . 0.485 HG23 ' HB2' ' H' ' 24' ' ' GLN . 2.7 m -118.95 123.66 45.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.34 111.13 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 82.5 p -141.11 138.91 33.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.25 110.826 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -146.95 132.28 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 72.32 110.83 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -120.16 129.68 54.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.54 110.868 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.98 137.25 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.35 110.818 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.624 ' HE2' HD12 ' N' ' 114' ' ' LEU . 0.0 OUTLIER -137.47 135.74 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.33 110.898 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.48 121.63 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.23 110.966 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.936 HD13 HD13 ' M' ' 114' ' ' LEU . 0.2 OUTLIER -119.52 125.67 49.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.925 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.97 119.46 21.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.55 110.875 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 13.1 m -134.41 131.99 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.846 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 2.8 mtp85 -131.34 124.16 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.502 . . . . 64.21 110.89 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 4.2 mtt85 -114.21 120.55 40.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.86 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.9 124.66 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 51.12 111.135 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -138.0 124.77 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.94 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.25 124.46 28.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -136.27 142.85 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 70.1 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' H' ' 8' ' ' SER . 12.7 m -141.82 152.76 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 75.12 111.117 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' F' ' 7' ' ' THR . 4.9 tt0 -132.26 133.66 44.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 64.35 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -126.22 108.91 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 62.02 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.984 HD23 HG22 ' F' ' 5' ' ' THR . 1.0 OUTLIER -116.43 116.78 28.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.324 -0.398 . . . . 62.42 110.929 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . 0.628 ' N ' HD22 ' N' ' 126' ' ' LEU . 0.1 OUTLIER -117.56 128.27 54.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.52 110.872 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -118.83 134.41 55.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 63.42 110.829 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 71.12 111.17 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . 0.63 ' CD2' HG21 ' G' ' 29' ' ' THR . 8.0 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.321 . . . . 65.4 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 83.3 p -120.7 177.7 4.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.82 147.23 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.936 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.512 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.63 137.23 5.57 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.686 -0.768 . . . . 62.3 112.463 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.829 ' HB ' HD23 ' G' ' 26' ' ' LEU . 15.3 t -129.13 131.37 47.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 74.43 111.206 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . 0.486 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 37.1 t80 -123.46 123.35 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 62.41 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . 0.671 HG23 ' HB2' ' G' ' 24' ' ' GLN . 3.5 m -129.55 121.97 28.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 75.32 111.136 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 4.6 m -139.79 142.25 36.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 73.11 110.85 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.2 154.28 44.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.937 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -143.14 140.17 30.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 70.44 110.957 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -147.12 139.47 24.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.31 110.875 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 141.82 36.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 71.4 110.887 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -134.91 124.24 24.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 75.33 110.925 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.415 ' CD2' HD22 ' P' ' 114' ' ' LEU . 0.1 OUTLIER -124.35 126.74 46.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.52 . . . . 43.51 110.884 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.07 126.66 32.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.902 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.38 126.29 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.14 110.828 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . 0.419 ' HD2' HD23 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -126.26 126.12 43.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 75.43 110.896 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' G' ' 12' ' ' LYS . 5.5 mtt180 -112.12 119.47 38.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.963 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.78 122.29 34.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.35 111.115 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -140.91 121.0 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.51 110.984 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -128.0 125.12 38.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 75.44 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -138.96 141.87 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.605 HG12 ' HA ' ' G' ' 8' ' ' SER . 4.3 m -141.29 152.11 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.163 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 136.57 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.879 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -134.23 113.81 12.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.951 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' P' ' 126' ' ' LEU . 8.3 tt -117.1 132.01 56.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 72.23 110.94 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.438 ' HE2' ' HA3' ' G' ' 4' ' ' GLY . 2.7 mmt -124.78 136.68 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.903 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.02 137.0 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 64.51 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 72.32 111.131 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 73.35 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . 0.489 ' CA ' HG23 ' H' ' 29' ' ' THR . 83.2 p -120.51 178.37 4.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 64.1 110.88 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.53 146.02 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.864 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.36 138.56 6.37 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.731 -0.747 . . . . 44.14 112.529 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 13.7 t -129.97 131.29 45.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 64.22 111.204 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -122.01 124.23 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 64.45 110.859 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -129.36 121.52 27.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 72.04 111.181 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . 0.431 ' OG ' HG13 ' H' ' 23' ' ' VAL . 4.1 m -140.85 141.64 34.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 44.0 110.837 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.97 154.52 45.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 71.54 110.923 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -144.41 137.42 27.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.31 110.872 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 23.0 t -148.26 137.55 22.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 54.11 110.861 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . 0.591 ' HE3' ' HB2' ' H' ' 19' ' ' ALA . 0.0 OUTLIER -140.61 140.34 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.929 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -134.7 123.66 24.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.237 -0.438 . . . . 64.54 110.968 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.518 HD11 ' HD3' ' G' ' 17' ' ' ARG . 0.1 OUTLIER -122.04 127.8 50.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.936 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.95 124.9 25.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 65.34 110.884 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.5 127.33 23.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.838 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.17 124.31 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 71.21 110.853 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -113.43 119.39 37.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.881 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . 0.737 ' HB3' ' HG3' ' H' ' 12' ' ' LYS . . . -124.13 123.53 40.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 62.42 111.121 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.1 124.82 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.874 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -131.2 122.85 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 53.31 110.935 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.43 140.05 39.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 53.21 110.905 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 10.1 m -142.83 148.0 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 54.55 111.152 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.74 134.14 47.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.908 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -132.24 114.67 14.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.53 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.582 HD13 HD13 ' O' ' 126' ' ' LEU . 8.2 tt -118.14 130.22 55.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 63.44 110.939 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . . . . . . . . . 2.8 mmt -125.66 136.93 53.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.11 110.916 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -133.0 135.77 45.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 70.32 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.126 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 63.31 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 t -148.15 161.8 40.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 54.25 110.884 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -165.91 165.31 18.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.6 142.23 7.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 64.52 112.546 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -131.57 138.03 48.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.322 . . . . 65.12 111.13 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -135.74 111.78 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 65.02 110.842 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.6 m -128.54 147.63 50.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.124 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.617 ' HA ' HG12 ' I' ' 123' ' ' VAL . 11.1 t -146.46 135.45 22.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 54.54 110.833 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -144.61 126.2 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 74.04 110.849 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -145.44 133.71 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -133.45 142.54 48.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 65.33 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.08 140.76 47.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.854 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -141.68 126.72 18.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.911 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -125.7 129.7 50.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -135.33 122.88 22.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 75.53 110.867 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 p -130.3 127.3 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.852 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -123.65 139.27 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.931 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -139.06 119.87 14.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 65.11 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.01 144.15 47.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 35.14 111.146 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -135.48 124.11 23.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.915 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.0 124.42 50.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -131.57 122.25 25.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.02 110.815 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.62 135.37 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' CD ' HG23 ' I' ' 107' ' ' THR . 1.7 tp-100 -130.32 134.7 47.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.907 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -138.75 129.88 26.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.875 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.602 ' CB ' HG23 ' I' ' 105' ' ' THR . 0.8 OUTLIER -134.02 150.15 51.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 63.02 110.923 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.54 150.08 38.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.894 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -163.71 176.78 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.142 -179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 62.35 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -148.22 162.18 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 64.23 110.912 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -164.25 161.41 21.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.944 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.29 142.83 8.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 64.32 112.542 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 3.2 p -132.37 136.12 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 54.21 111.154 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -138.54 115.47 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.871 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 50.0 m -123.3 147.41 47.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 60.42 111.127 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 11.0 t -143.11 137.71 29.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 72.1 110.865 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -144.99 121.34 10.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.938 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -146.21 134.63 21.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.941 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 1.5 m -132.04 147.96 52.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.862 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.79 143.13 50.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.082 -0.508 . . . . 74.13 110.881 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -138.56 125.72 21.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.54 110.884 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 tt -124.94 129.34 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -136.41 123.64 21.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.35 110.827 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -127.54 128.95 46.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -122.35 136.94 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 72.33 110.877 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -142.93 123.35 13.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.425 ' HB2' ' HE3' ' J' ' 112' ' ' LYS . . . -117.7 143.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.15 111.09 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -135.62 127.37 29.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 63.23 110.916 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.03 128.56 56.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.904 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -127.69 123.03 34.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.51 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 t -138.97 130.18 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 55.24 111.172 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -134.12 140.01 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.946 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -136.55 130.26 32.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.934 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.63 148.59 50.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 75.51 110.953 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.57 149.58 36.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.906 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.423 HD21 ' NE2' ' J' ' 103' ' ' GLN . 5.3 p30 -163.97 176.44 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 70.24 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 61.1 111.121 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.725 0.298 . . . . 72.21 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.588 ' HB2' HG23 ' K' ' 129' ' ' THR . 12.8 t -146.31 154.1 41.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 51.54 110.871 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -155.56 148.88 24.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 63.01 110.931 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.79 127.7 3.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.665 -0.779 . . . . 55.02 112.418 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 1.4 p -122.67 125.9 46.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 71.15 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -122.4 112.16 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 75.11 110.833 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.9 140.27 52.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 70.32 111.127 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.558 ' HA ' HG12 ' K' ' 123' ' ' VAL . 0.9 OUTLIER -138.15 135.12 35.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.838 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -144.5 123.85 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.52 . . . . 72.12 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.97 135.18 24.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.935 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 1.7 p -132.14 144.08 50.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 64.41 110.838 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.75 140.39 42.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 75.14 110.864 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -142.53 127.17 18.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 42.21 110.907 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' K' ' 117' ' ' ARG . 0.4 OUTLIER -122.17 130.25 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 64.04 110.919 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -132.55 122.94 25.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.3 110.831 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 71.0 m -131.9 120.49 22.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 74.12 110.886 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -116.23 133.91 55.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 74.53 110.807 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.49 123.5 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.858 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.0 133.3 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 70.32 111.178 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.76 124.15 27.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.239 -0.437 . . . . 74.21 110.879 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -122.39 128.8 51.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 74.32 110.885 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.24 117.42 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 21.2 t -129.6 138.3 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 61.25 111.166 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -139.99 139.77 36.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.25 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -137.7 128.94 27.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.591 HD22 ' O ' ' K' ' 104' ' ' GLY . 3.2 tm? -120.78 134.55 55.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 74.55 110.94 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' MET . . . . . 0.483 ' H ' HD22 ' C' ' 26' ' ' LEU . 4.8 ptp -129.01 135.08 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.876 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -162.09 139.97 8.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . 0.585 HG23 ' O ' ' I' ' 101' ' ' HIS . 97.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 65.11 111.102 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.765 0.317 . . . . 75.44 110.836 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -146.21 153.47 40.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.842 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -153.96 145.67 23.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.88 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 130.62 3.9 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 45.23 112.493 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 2.8 p -119.06 123.21 43.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 72.45 111.094 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -123.11 113.13 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.24 110.873 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.88 138.4 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 61.32 111.138 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.57 134.57 41.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.841 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -145.39 121.32 10.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 75.34 110.911 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -144.96 132.22 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.4 110.953 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 1.8 p -134.18 147.89 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 64.4 110.872 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' LYS . . . . . 0.536 ' HD3' HD11 ' D' ' 14' ' ' LEU . 0.0 OUTLIER -133.45 143.96 49.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.926 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' L' ' 118' ' ' ARG . 4.3 t80 -139.6 122.92 17.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.991 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' LEU . . . . . 0.536 HD11 ' HD3' ' D' ' 12' ' ' LYS . 0.4 OUTLIER -122.09 129.79 52.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.32 110.876 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -133.35 123.59 25.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.955 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 70.7 m -129.32 120.48 25.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.857 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.582 ' NH1' HD13 ' J' ' 114' ' ' LEU . 8.3 ptm180 -117.06 133.02 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.861 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -132.01 122.68 25.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.41 110.864 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.73 133.42 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.062 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.32 124.28 26.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 51.44 110.913 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -120.19 131.26 54.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -132.75 116.33 16.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 64.44 110.862 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 20.1 t -129.58 136.72 58.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 64.24 111.103 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLN . . . . . 0.437 ' HB2' HG23 ' J' ' 107' ' ' THR . 2.7 tp-100 -144.02 140.92 29.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.85 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -139.21 129.74 25.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 70.32 110.921 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.517 HD13 ' C ' ' D' ' 26' ' ' LEU . 2.9 tm? -120.81 132.01 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.924 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' MET . . . . . 0.51 ' N ' HD22 ' D' ' 26' ' ' LEU . 4.3 ptp -127.4 130.68 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.919 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -164.64 139.91 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 75.02 110.894 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' L' ' 101' ' ' HIS . 97.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 65.05 111.128 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 64.51 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' SER . . . . . 0.603 ' HB2' HG23 ' M' ' 129' ' ' THR . 36.4 t -141.51 149.71 41.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 45.2 110.844 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' GLN . . . . . 0.446 ' OE1' HD22 ' M' ' 126' ' ' LEU . 1.6 tm0? -146.76 149.08 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 71.14 110.894 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.4 128.1 3.28 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.752 -0.737 . . . . 60.05 112.449 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -124.68 129.75 51.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 63.45 111.127 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -123.43 111.34 16.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.936 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.53 137.31 53.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 72.03 111.12 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.596 ' HA ' HG12 ' M' ' 123' ' ' VAL . 1.2 t -139.08 134.74 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.903 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -137.26 133.07 34.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 72.35 110.803 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -140.13 127.91 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.92 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.7 135.99 49.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 75.3 110.866 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' LYS . . . . . 0.629 ' HD3' HD12 ' E' ' 14' ' ' LEU . 2.2 tmmm? -137.27 126.26 24.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 74.53 110.893 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.97 118.3 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 75.05 110.909 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' LEU . . . . . 0.629 HD12 ' HD3' ' E' ' 12' ' ' LYS . 0.2 OUTLIER -109.45 114.76 28.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 75.22 110.894 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.73 121.95 44.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 64.23 110.876 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . . . . . . . . . 19.0 t -135.3 138.8 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 74.13 110.874 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' ARG . . . . . 0.684 ' NE ' HD11 ' N' ' 114' ' ' LEU . 0.3 OUTLIER -145.14 140.65 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.13 110.922 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -137.16 143.67 42.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.25 110.9 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.56 137.71 48.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.44 111.172 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.31 126.72 26.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.86 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -132.57 129.78 39.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 54.35 110.897 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -133.04 124.49 27.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 74.44 110.894 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' VAL . . . . . . . . . . . . . 18.5 t -135.53 134.6 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 71.53 111.129 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' GLN . . . . . 0.482 ' HG3' HG22 ' M' ' 107' ' ' THR . 0.2 OUTLIER -141.16 125.0 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.896 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -121.44 131.71 54.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 70.32 110.869 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' LEU . . . . . 0.678 HD23 HG23 ' M' ' 105' ' ' THR . 3.1 tm? -123.29 132.56 54.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 73.25 110.947 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' MET . . . . . 0.494 ' H ' HD22 ' E' ' 26' ' ' LEU . 2.9 ptp -127.94 134.52 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 74.3 110.9 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -162.23 140.99 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.873 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' THR . . . . . 0.51 HG23 ' O ' ' K' ' 101' ' ' HIS . 96.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 74.13 111.22 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.744 0.307 . . . . 73.14 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' SER . . . . . . . . . . . . . 36.4 t -141.66 149.55 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 73.42 110.862 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -143.97 143.86 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.893 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 130.31 3.38 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.746 -0.74 . . . . 63.31 112.472 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -124.22 127.81 48.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 65.14 111.084 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -122.78 112.23 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.61 135.81 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 73.13 111.177 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.578 ' HA ' HG12 ' L' ' 123' ' ' VAL . 1.2 t -133.6 134.77 43.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 62.22 110.867 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -140.77 129.72 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 64.31 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -141.5 127.61 19.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.99 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -128.76 135.75 49.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.887 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' LYS . . . . . 0.526 ' HD3' HD12 ' F' ' 14' ' ' LEU . 2.3 tmmm? -138.43 125.83 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 54.24 110.883 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.73 119.44 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 60.22 110.93 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' LEU . . . . . 0.526 HD12 ' HD3' ' F' ' 12' ' ' LYS . 0.2 OUTLIER -108.98 113.72 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 71.32 110.909 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.44 122.92 47.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 75.42 110.876 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' SER . . . . . . . . . . . . . 19.2 t -134.32 138.53 45.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 62.21 110.837 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.32 141.04 32.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.895 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -136.23 144.22 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 72.23 110.886 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' ALA . . . . . 0.54 ' HB2' ' CE ' ' N' ' 112' ' ' LYS . . . -131.31 136.42 48.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 54.43 111.119 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.43 128.08 30.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.901 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -130.83 131.06 44.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 50.02 110.802 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -132.36 123.55 27.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -135.92 133.69 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 74.15 111.161 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.46 121.86 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.904 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' TRP . . . . . 0.448 ' CZ2' ' HB3' ' F' ' 27' ' ' MET . 17.3 t-105 -122.16 129.0 51.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.946 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' LEU . . . . . 0.621 HD23 ' OG1' ' L' ' 105' ' ' THR . 2.8 tm? -125.76 132.12 52.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 50.02 110.937 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' F' ' 26' ' ' LEU . 2.9 ptp -129.51 131.5 46.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.891 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -160.96 140.92 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.874 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' THR . . . . . 0.549 HG23 ' O ' ' N' ' 101' ' ' HIS . 96.6 m . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 73.51 111.172 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.883 0.373 . . . . 73.11 110.838 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' SER . . . . . 0.451 ' OG ' HG23 ' O' ' 129' ' ' THR . 0.8 OUTLIER -146.57 153.26 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.13 110.895 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.94 155.19 40.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.95 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.63 128.02 2.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.804 -0.712 . . . . 64.21 112.537 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -122.7 133.2 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 41.32 111.184 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -129.83 111.39 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.88 139.8 52.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 70.32 111.191 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.585 ' HA ' HG12 ' O' ' 123' ' ' VAL . 0.4 OUTLIER -139.49 134.68 32.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 74.4 110.909 -179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.22 113.46 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.899 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -118.45 126.26 51.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.879 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.97 132.12 50.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 72.4 110.835 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' LYS . . . . . 0.63 ' CE ' HD11 ' G' ' 14' ' ' LEU . 1.8 ttpm? -136.94 128.08 27.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.02 127.07 35.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.969 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' LEU . . . . . 0.728 HD13 ' CD ' ' M' ' 117' ' ' ARG . 2.4 mp -118.93 113.69 21.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.6 120.67 40.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.25 110.859 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' SER . . . . . . . . . . . . . 72.8 m -137.53 142.4 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 65.11 110.841 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -147.76 148.85 31.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.925 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -138.75 143.86 39.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' O' ' 112' ' ' LYS . . . -131.97 135.32 46.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.22 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.42 129.59 35.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.905 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -132.09 131.74 42.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 71.03 110.872 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.73 128.47 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.934 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 t -144.12 122.73 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.149 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.84 137.76 21.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 52.22 110.918 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' TRP . . . . . 0.483 ' CE2' ' HB3' ' O' ' 106' ' ' PHE . 5.4 p-90 -139.36 143.51 37.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.916 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' LEU . . . . . 0.656 HD23 ' OG1' ' O' ' 105' ' ' THR . 2.4 tm? -126.36 124.66 40.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.88 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' MET . . . . . 0.534 ' N ' HD22 ' G' ' 26' ' ' LEU . 0.0 OUTLIER -124.42 132.63 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 55.31 110.876 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -164.58 160.81 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 64.53 110.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' THR . . . . . 0.406 HG23 ' O ' ' M' ' 101' ' ' HIS . 9.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.119 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 1' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.825 0.345 . . . . 71.04 110.814 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.25 152.51 39.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.842 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.95 151.9 37.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 74.11 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 128.42 2.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 64.03 112.557 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 5' ' ' THR . . . . . . . . . . . . . 3.0 p -123.56 130.23 52.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 74.12 111.125 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 6' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -131.13 112.74 13.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.22 110.902 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 7' ' ' THR . . . . . 0.485 HG23 ' HG3' ' P' ' 124' ' ' GLN . 0.0 OUTLIER -116.27 138.6 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 74.23 111.196 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.9 134.89 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.906 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.56 110.88 6.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 74.05 110.848 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -118.19 125.86 51.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.914 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.87 130.48 48.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 31.35 110.864 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' LYS . . . . . 0.637 ' CE ' HD11 ' H' ' 14' ' ' LEU . 1.8 ttpm? -138.15 129.52 27.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 72.2 110.899 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 126.15 31.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.942 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' LEU . . . . . 0.637 HD11 ' CE ' ' H' ' 12' ' ' LYS . 2.7 mp -116.03 115.76 26.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.104 -0.498 . . . . 62.14 110.959 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -114.14 121.75 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.843 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' SER . . . . . . . . . . . . . 73.1 m -135.84 141.53 44.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.887 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -147.13 148.59 31.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 71.15 110.897 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -138.17 143.19 40.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 63.01 110.913 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.72 135.2 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.15 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -132.39 132.56 42.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 62.42 110.886 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.3 132.17 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.851 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -134.09 130.33 37.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.899 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' VAL . . . . . . . . . . . . . 16.1 t -145.34 123.53 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 65.03 111.086 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' GLN . . . . . 0.789 ' HB2' HG22 ' N' ' 107' ' ' THR . 1.2 tm0? -150.54 135.19 17.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.914 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -144.89 142.02 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 71.52 110.943 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' LEU . . . . . 0.619 HD23 ' OG1' ' N' ' 105' ' ' THR . 3.5 tm? -129.8 121.94 27.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.879 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.04 130.65 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 72.23 110.946 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -166.06 160.84 16.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.423 . . . . 64.13 110.879 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' THR . . . . . 0.575 HG23 ' HA ' ' P' ' 102' ' ' SER . 9.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 65.22 111.114 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 101' ' ' HIS . . . . . 0.585 ' O ' HG23 ' C' ' 29' ' ' THR . 17.8 m80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 64.45 110.839 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 102' ' ' SER . . . . . . . . . . . . . 7.0 p -164.99 154.69 13.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.854 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -102.7 127.48 49.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 63.33 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 104' ' ' GLY . . . . . . . . . . . . . . . -132.57 138.08 9.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.762 -0.733 . . . . 53.32 112.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 105' ' ' THR . . . . . 0.602 HG23 ' CB ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -130.41 131.54 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 73.32 111.104 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 106' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -129.16 123.25 31.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.83 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 107' ' ' THR . . . . . 0.538 HG23 ' CD ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -117.75 126.59 52.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 73.43 111.146 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 108' ' ' SER . . . . . . . . . . . . . 5.0 p -128.58 124.26 35.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.852 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -148.4 143.54 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 51.21 110.824 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 110' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -150.25 140.8 22.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 75.54 110.913 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -123.43 146.61 47.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.821 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.98 128.3 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.41 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 113' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -127.95 133.83 49.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 42.1 110.9 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' J' ' 114' ' ' LEU . 0.1 OUTLIER -138.92 116.97 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.869 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 115' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.83 112.16 19.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 65.01 110.894 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 116' ' ' SER . . . . . . . . . . . . . 30.1 p -124.54 123.07 39.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 64.33 110.866 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -137.8 135.56 36.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.924 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 63.04 110.902 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.35 126.98 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 65.44 111.056 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 120' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -118.84 122.63 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 64.12 110.935 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -126.97 123.52 37.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 63.22 110.832 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 122' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -146.01 146.65 31.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 64.12 110.841 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 123' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 8' ' ' SER . 23.4 m -141.29 163.09 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.5 111.071 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -133.87 135.09 43.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.05 110.92 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.3 131.89 40.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 126' ' ' LEU . . . . . 0.532 HD23 ' N ' ' I' ' 127' ' ' MET . 8.0 tt -129.74 135.65 48.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 127' ' ' MET . . . . . 0.532 ' N ' HD23 ' I' ' 126' ' ' LEU . 1.4 mmt -134.68 125.75 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 70.44 110.909 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 128' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -132.62 139.53 47.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 65.22 110.866 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 129' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 64.44 111.114 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 101' ' ' HIS . . . . . . . . . . . . . 17.7 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.849 0.357 . . . . 75.31 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 102' ' ' SER . . . . . . . . . . . . . 7.3 p -164.99 155.06 13.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 53.43 110.836 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 103' ' ' GLN . . . . . 0.423 ' NE2' HD21 ' B' ' 28' ' ' ASN . 1.3 tm0? -103.96 125.99 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 104' ' ' GLY . . . . . 0.503 ' O ' HD22 ' D' ' 26' ' ' LEU . . . -134.03 136.45 8.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.526 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 105' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 129.56 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 64.31 111.187 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -130.35 120.97 25.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 63.25 110.952 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 107' ' ' THR . . . . . 0.437 HG23 ' HB2' ' D' ' 24' ' ' GLN . 0.2 OUTLIER -116.95 125.17 51.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.105 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -129.44 124.6 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.42 110.852 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -145.44 148.24 33.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 71.41 110.814 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 110' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -146.78 138.78 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 75.14 110.901 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 111' ' ' SER . . . . . . . . . . . . . 7.0 p -122.92 145.34 48.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.41 110.902 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 112' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' B' ' 19' ' ' ALA . 0.0 OUTLIER -136.4 128.52 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.813 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 113' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -124.35 134.25 53.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.1 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 114' ' ' LEU . . . . . 0.696 HD22 HD22 ' I' ' 114' ' ' LEU . 0.1 OUTLIER -139.52 116.87 11.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 53.1 110.92 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.43 110.6 18.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 73.41 110.827 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 116' ' ' SER . . . . . . . . . . . . . 29.6 p -126.27 122.25 34.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.15 110.869 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 117' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -138.71 136.09 35.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 71.22 110.922 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.31 150.0 49.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.88 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 119' ' ' ALA . . . . . . . . . . . . . . . -147.77 130.04 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.127 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 120' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -116.47 124.5 50.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.913 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -124.98 124.54 42.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 122' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -147.76 142.73 26.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.852 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 123' ' ' VAL . . . . . . . . . . . . . 26.4 m -142.07 158.48 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 64.23 111.106 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -138.49 135.65 35.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 71.2 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 125' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -129.47 133.57 47.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.25 110.9 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 126' ' ' LEU . . . . . 0.513 HD23 ' N ' ' J' ' 127' ' ' MET . 8.1 tt -129.29 135.39 48.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 73.31 110.852 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 127' ' ' MET . . . . . 0.513 ' N ' HD23 ' J' ' 126' ' ' LEU . 1.4 mmt -134.29 129.63 35.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.919 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 128' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -131.87 137.95 48.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 42.1 110.872 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 129' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.14 111.152 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 101' ' ' HIS . . . . . 0.51 ' O ' HG23 ' E' ' 29' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.781 0.324 . . . . 74.54 110.819 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 102' ' ' SER . . . . . . . . . . . . . 64.6 p -164.98 143.68 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.15 110.862 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.85 127.89 54.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 75.21 110.915 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 104' ' ' GLY . . . . . 0.591 ' O ' HD22 ' C' ' 26' ' ' LEU . . . -135.7 139.17 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 73.3 112.435 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 105' ' ' THR . . . . . 0.484 ' OG1' HD23 ' C' ' 26' ' ' LEU . 9.9 m -127.96 122.48 32.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 75.2 111.123 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 106' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -118.04 119.58 35.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.4 110.851 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 107' ' ' THR . . . . . . . . . . . . . 1.9 t -120.63 133.79 55.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 71.51 111.098 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.3 124.61 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 61.42 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 140.65 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 54.13 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 110' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -138.46 142.97 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.918 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.25 134.25 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 63.01 110.875 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 112' ' ' LYS . . . . . 0.632 ' NZ ' HD12 ' K' ' 114' ' ' LEU . 21.2 tptp -132.94 129.3 38.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.04 110.88 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 113' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -129.1 114.95 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 114' ' ' LEU . . . . . 0.632 HD12 ' NZ ' ' K' ' 112' ' ' LYS . 0.1 OUTLIER -119.56 110.02 16.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.874 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' K' K ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.8 109.86 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 63.53 110.83 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.02 129.58 45.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.846 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 117' ' ' ARG . . . . . 0.752 ' HD2' HD23 ' C' ' 14' ' ' LEU . 0.1 OUTLIER -141.72 145.11 34.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 73.11 110.84 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' K' K ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.33 147.83 43.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.845 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 119' ' ' ALA . . . . . . . . . . . . . . . -145.37 129.64 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 71.24 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.33 123.11 40.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 71.03 110.902 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.95 125.17 44.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.879 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 122' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.38 146.07 30.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.35 110.847 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 123' ' ' VAL . . . . . 0.558 HG12 ' HA ' ' C' ' 8' ' ' SER . 10.4 m -145.84 156.96 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 44.51 111.143 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -131.31 141.22 49.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.13 110.946 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 125' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -135.81 119.35 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.869 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 126' ' ' LEU . . . . . 0.431 HD23 ' C ' ' K' ' 126' ' ' LEU . 7.3 tt -111.69 125.64 54.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 62.43 110.984 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -123.04 125.15 44.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.909 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -129.13 129.88 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.927 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 129' ' ' THR . . . . . 0.588 HG23 ' HB2' ' C' ' 2' ' ' SER . 3.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 74.02 111.19 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 101' ' ' HIS . . . . . 0.574 ' O ' HG23 ' D' ' 29' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.864 0.364 . . . . 71.5 110.866 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.15 143.29 6.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.04 110.833 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.42 125.57 51.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 63.44 110.885 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 104' ' ' GLY . . . . . 0.47 ' O ' HD22 ' F' ' 26' ' ' LEU . . . -138.7 136.25 7.91 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 72.55 112.533 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 105' ' ' THR . . . . . 0.621 ' OG1' HD23 ' F' ' 26' ' ' LEU . 11.5 m -129.93 120.78 25.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 75.32 111.17 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 106' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -118.05 117.41 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.842 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 107' ' ' THR . . . . . 0.401 HG23 ' HB3' ' D' ' 24' ' ' GLN . 1.7 t -121.28 131.25 54.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 71.32 111.179 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -137.48 124.47 21.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 62.25 110.824 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.93 141.55 47.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.15 110.85 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 110' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -137.21 142.66 42.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.906 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.27 135.06 40.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 52.33 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 112' ' ' LYS . . . . . 0.617 ' NZ ' HD12 ' L' ' 114' ' ' LEU . 21.3 tptp -132.09 128.35 37.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 51.22 110.899 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 113' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -128.37 114.74 17.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 114' ' ' LEU . . . . . 0.617 HD12 ' NZ ' ' L' ' 112' ' ' LYS . 0.1 OUTLIER -117.81 111.67 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 72.45 110.888 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 115' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.29 109.64 18.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.905 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.55 129.68 46.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 75.44 110.851 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.55 139.95 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.34 110.845 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 118' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' D' ' 13' ' ' TYR . 0.1 OUTLIER -137.42 149.82 47.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.887 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 119' ' ' ALA . . . . . . . . . . . . . . . -144.67 131.0 19.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 73.43 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 120' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -120.33 123.14 42.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.43 110.949 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.82 129.9 51.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 72.51 110.868 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 122' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -146.36 145.43 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 71.32 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 123' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' F' ' 8' ' ' SER . 12.0 m -145.75 154.54 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 73.14 111.174 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 124' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.85 140.51 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.931 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.23 120.09 18.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.854 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 126' ' ' LEU . . . . . 0.422 ' C ' HD23 ' L' ' 126' ' ' LEU . 7.3 tt -113.6 126.4 55.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.94 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 127' ' ' MET . . . . . . . . . . . . . 3.1 mmt -121.28 128.29 52.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.888 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 128' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -128.07 128.92 45.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 75.33 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 129' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.11 111.152 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' M' M ' 101' ' ' HIS . . . . . 0.406 ' O ' HG23 ' G' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.362 . . . . 72.11 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 102' ' ' SER . . . . . . . . . . . . . 59.4 p -163.33 148.39 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.23 110.909 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 103' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.19 129.44 56.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.872 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 104' ' ' GLY . . . . . 0.557 ' O ' HD22 ' E' ' 26' ' ' LEU . . . -137.43 138.98 10.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.746 . . . . 75.2 112.522 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 105' ' ' THR . . . . . 0.678 HG23 HD23 ' E' ' 26' ' ' LEU . 0.2 OUTLIER -129.11 122.76 30.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 71.24 111.157 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 106' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -118.37 112.74 20.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.4 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 107' ' ' THR . . . . . 0.482 HG22 ' HG3' ' E' ' 24' ' ' GLN . 20.4 p -115.79 119.63 36.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.44 111.137 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 108' ' ' SER . . . . . . . . . . . . . 15.7 p -129.77 130.87 45.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.21 110.875 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -139.25 138.0 36.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 110' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -136.03 146.39 47.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.933 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.46 141.08 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 65.41 110.848 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.4 134.98 44.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.861 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 113' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -129.55 117.07 19.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.878 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 114' ' ' LEU . . . . . 0.424 HD22 ' CD2' ' N' ' 114' ' ' LEU . 0.0 OUTLIER -122.3 123.84 42.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 75.11 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -131.69 110.87 11.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.872 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 116' ' ' SER . . . . . . . . . . . . . 7.6 p -130.26 125.25 34.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.43 110.84 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 117' ' ' ARG . . . . . 0.728 ' CD ' HD13 ' G' ' 14' ' ' LEU . 0.0 OUTLIER -130.47 134.28 46.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.882 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 129.54 51.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 63.22 110.865 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 119' ' ' ALA . . . . . . . . . . . . . . . -130.18 130.76 45.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 70.51 111.154 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -135.21 122.11 21.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.929 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.0 130.2 47.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.13 110.85 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 122' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -145.95 146.61 31.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.844 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 123' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' E' ' 8' ' ' SER . 10.6 m -142.86 155.73 17.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.53 111.122 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.43 139.94 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 74.3 110.934 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -130.6 121.35 25.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.3 110.893 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 126' ' ' LEU . . . . . 0.461 HD23 ' N ' ' M' ' 127' ' ' MET . 6.5 tt -109.39 125.95 52.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.929 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 127' ' ' MET . . . . . 0.461 ' N ' HD23 ' M' ' 126' ' ' LEU . 2.5 mmt -124.64 124.85 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 70.12 110.877 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 128' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -130.69 134.78 47.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 62.13 110.917 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 129' ' ' THR . . . . . 0.603 HG23 ' HB2' ' E' ' 2' ' ' SER . 3.2 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 73.25 111.147 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 101' ' ' HIS . . . . . 0.549 ' O ' HG23 ' F' ' 29' ' ' THR . 9.7 t60 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.755 0.312 . . . . 74.24 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 102' ' ' SER . . . . . . . . . . . . . 58.9 p -163.39 148.54 11.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 62.52 110.903 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 103' ' ' GLN . . . . . 0.527 ' HG2' HD21 ' H' ' 26' ' ' LEU . 1.0 OUTLIER -111.94 127.16 55.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.871 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 104' ' ' GLY . . . . . 0.505 ' O ' HD22 ' H' ' 26' ' ' LEU . . . -140.09 136.78 7.95 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.695 -0.764 . . . . 54.03 112.44 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 105' ' ' THR . . . . . 0.619 ' OG1' HD23 ' H' ' 26' ' ' LEU . 0.2 OUTLIER -128.59 122.07 30.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 73.02 111.134 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 106' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -119.15 111.86 18.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.921 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 107' ' ' THR . . . . . 0.789 HG22 ' HB2' ' H' ' 24' ' ' GLN . 19.9 p -113.49 118.95 35.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.478 . . . . 74.34 111.13 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 108' ' ' SER . . . . . . . . . . . . . 15.5 p -129.29 128.0 42.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.25 110.824 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 109' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -140.81 138.78 34.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.906 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 110' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -134.19 146.31 50.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 50.54 110.876 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.69 141.01 29.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.024 -0.535 . . . . 74.35 110.84 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 112' ' ' LYS . . . . . 0.54 ' CE ' ' HB2' ' F' ' 19' ' ' ALA . 1.1 ttmt -134.13 138.45 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 113' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -125.17 118.32 25.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.951 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 114' ' ' LEU . . . . . 0.684 HD11 ' NE ' ' E' ' 17' ' ' ARG . 0.0 OUTLIER -118.94 122.24 41.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 73.32 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -136.18 109.08 7.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 72.55 110.917 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 116' ' ' SER . . . . . . . . . . . . . 7.4 p -130.55 126.52 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.86 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.81 129.68 44.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 64.21 110.97 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.16 128.7 50.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 70.41 110.855 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 119' ' ' ALA . . . . . . . . . . . . . . . -131.76 132.62 43.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 51.12 111.082 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 120' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -131.03 123.84 29.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.882 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -128.67 129.87 46.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 72.41 110.821 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 122' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -144.64 144.69 31.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.965 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 123' ' ' VAL . . . . . . . . . . . . . 15.0 m -143.21 152.96 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.12 111.155 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.49 138.49 39.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 64.35 110.914 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 125' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -130.52 120.6 24.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 62.02 110.895 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 126' ' ' LEU . . . . . 0.436 HD23 ' C ' ' N' ' 126' ' ' LEU . 6.4 tt -111.74 123.98 51.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 62.42 110.933 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 127' ' ' MET . . . . . 0.436 ' N ' HD23 ' N' ' 126' ' ' LEU . 2.5 mmt -125.39 127.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 71.52 110.88 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 128' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -130.61 134.67 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.42 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 129' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.161 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' O' O ' 101' ' ' HIS . . . . . . . . . . . . . 47.9 m170 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 65.4 110.831 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' O' O ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -76.17 143.19 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 75.42 110.855 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 147.27 49.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 62.35 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 104' ' ' GLY . . . . . 0.552 ' O ' HD22 ' G' ' 26' ' ' LEU . . . -154.45 136.53 5.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 62.3 112.51 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 105' ' ' THR . . . . . 0.656 ' OG1' HD23 ' G' ' 26' ' ' LEU . 0.2 OUTLIER -127.38 136.05 51.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 74.43 111.105 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 106' ' ' PHE . . . . . 0.483 ' HB3' ' CE2' ' G' ' 25' ' ' TRP . 33.5 t80 -129.23 128.9 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 62.41 110.87 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -137.82 125.04 21.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 75.32 111.16 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 108' ' ' SER . . . . . . . . . . . . . 11.9 p -142.64 145.72 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.424 . . . . 73.11 110.889 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.78 157.98 43.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.843 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -147.44 144.24 28.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 70.44 110.915 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.43 141.76 43.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 65.31 110.892 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 112' ' ' LYS . . . . . 0.477 ' HB3' ' HB3' ' G' ' 19' ' ' ALA . 0.2 OUTLIER -135.03 128.48 32.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 71.4 110.916 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 113' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -121.68 124.49 44.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.988 0.423 . . . . 75.33 110.894 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' P' ' 114' ' ' LEU . 0.0 OUTLIER -125.3 120.28 30.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 43.51 110.882 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 115' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -129.47 112.27 13.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.858 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.9 122.12 33.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.14 110.919 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 130.8 53.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.835 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.95 119.36 24.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 70.12 110.898 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 119' ' ' ALA . . . . . . . . . . . . . . . -126.85 125.24 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.119 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.03 122.41 20.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.51 110.878 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 121' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -129.02 126.68 40.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.853 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 122' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -137.05 144.46 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 71.31 110.841 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 123' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' G' ' 8' ' ' SER . 10.6 m -142.81 157.4 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 75.42 111.187 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 124' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -134.79 140.8 46.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 125' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.13 123.3 24.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.936 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' P' ' 126' ' ' LEU . 6.4 tt -115.54 130.4 56.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 127' ' ' MET . . . . . 0.545 ' N ' HD23 ' O' ' 126' ' ' LEU . 3.1 mmt -129.63 124.98 35.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.94 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -130.72 131.9 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 64.51 110.895 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 129' ' ' THR . . . . . 0.451 HG23 ' OG ' ' G' ' 2' ' ' SER . 3.6 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 72.32 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 101' ' ' HIS . . . . . . . . . . . . . 47.7 m170 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.822 0.344 . . . . 73.35 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 102' ' ' SER . . . . . 0.575 ' HA ' HG23 ' H' ' 29' ' ' THR . 5.4 m -75.3 142.56 43.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 64.1 110.803 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -126.05 146.6 49.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 72.11 110.899 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 104' ' ' GLY . . . . . . . . . . . . . . . -151.37 138.7 6.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 44.14 112.524 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.04 135.15 49.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 64.22 111.164 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 106' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -127.58 129.22 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 64.45 110.912 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 107' ' ' THR . . . . . . . . . . . . . 2.2 t -136.7 125.63 24.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.04 111.207 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 108' ' ' SER . . . . . . . . . . . . . 12.2 p -144.26 144.66 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 44.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -149.34 158.42 44.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 71.54 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 110' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -147.69 143.47 27.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.968 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.63 142.11 46.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 54.11 110.847 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.93 128.24 32.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.079 -0.509 . . . . 73.41 110.896 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 113' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -121.74 125.49 46.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.54 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 114' ' ' LEU . . . . . 0.531 HD21 HD21 ' O' ' 114' ' ' LEU . 0.1 OUTLIER -123.02 120.95 34.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.496 . . . . 74.44 110.857 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 115' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -131.86 109.88 10.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.34 110.86 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.28 123.35 37.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.826 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.95 130.94 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.902 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 118' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -126.79 120.01 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.813 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 119' ' ' ALA . . . . . . . . . . . . . . . -128.63 123.48 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 62.42 111.129 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.49 124.85 27.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 74.33 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 121' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -131.88 124.09 28.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 53.31 110.871 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 122' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -135.59 143.95 45.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 53.21 110.864 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 123' ' ' VAL . . . . . . . . . . . . . 15.9 m -143.97 155.24 15.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 54.55 111.112 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 124' ' ' GLN . . . . . 0.485 ' HG3' HG23 ' H' ' 7' ' ' THR . 40.7 tt0 -135.83 139.95 43.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 71.21 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 125' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -131.61 124.24 29.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.448 . . . . 74.53 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 126' ' ' LEU . . . . . 0.565 HD11 HD11 ' O' ' 126' ' ' LEU . 6.2 tt -118.08 128.22 54.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 63.44 110.946 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 127' ' ' MET . . . . . 0.507 ' N ' HD23 ' P' ' 126' ' ' LEU . 3.1 mmt -128.66 128.74 44.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 74.11 110.881 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.75 132.46 46.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 70.32 110.836 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 129' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 71.54 111.159 -180.0 . . . . . . . . 0 0 . 1 stop_ save_